MK-0429 (CAS 227963-15-7): price, suppliers and safety

What is MK-0429?

Plain description, key identifiers and synonyms

MK-0429 is a chemical substance with the molecular formula C23H29N5O4 and a molar mass of 439.52 g/mol. Its CAS registry number is 227963-15-7. The IUPAC name is (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid
CAS number: 227963-15-7
EC number: 836-017-2
Molecular formula: C₂₃H₂₉N₅O₄
UNII: 1JL033A2D0
InChIKey: HGFOOLONGOBCMP-IBGZPJMESA-N
InChI: InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1
Canonical SMILES: COc1ccc(C(CC(=O)O)N2CCN(CCCc3ccc4c(n3)NCCC4)C2=O)cn1
Isomeric SMILES: COC1=NC=C(C=C1)[C@H](CC(=O)O)N2CCN(C2=O)CCCC3=NC4=C(CCCN4)C=C3

Synonyms

(3S)-3-(6-Methoxy-3-pyridyl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic acid
(3S)-3-(6-methoxypyridin-3-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid
3-Pyridinepropanoic acid, 6-methoxy-beta-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)-1-imidazolidinyl)-, (betaS)-
(3S)-3-(6-methoxypyridin-3-yl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic acid
(S)-3-(6-methoxypyridin-3-yl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic acid
(S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-propyl]-imidazolidin-1-yl}-propionic acid
Alpha-V Beta-3 Antagonist
compound 6
3-(6-methoxypyridin-3-yl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro(1,8)naphthyridin-2-yl)propyl)imidazolidin-1-yl)propionic acid
MK-0429??(L-000845704)
(S)-3-(6-methoxypyridin-3-yl)-3-(2-oxo-3-(3-(1,5,6,7-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic acid
3-Pyridinepropanoic acid, 6-methoxy-beta-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)-1-imidazolidinyl)-, (.beta.s)-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight	439.52 g/molcalc.
Exact mass	439.222 Dacalc.
LogP (octanol/water)	2.73calc.
Topological polar surface area	107.9 Å²calc.
Hydrogen bond donors	2calc.
Hydrogen bond acceptors	6calc.
Rotatable bonds	9calc.
Heavy atoms	32calc.
Rings	4calc.
Aromatic rings	2calc.
Fraction sp3 carbons	0.48calc.
Formal charge	0calc.
Stereocentres	1calc.
Lipinski rule of five	Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

O=C1N(CCCc2ccc3c(n2)NCCC3)CCN1Cc1cccnc1

4 rings, 26 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word

Danger

Serious health hazard

Hazard statements

H360May damage fertility or the unborn child.
H373May cause damage to organs through prolonged or repeated exposure.

Precautionary statements (7)

P203Obtain, read and follow all safety instructions before use.
P260Do not breathe dust, fume, gas, mist, vapours or spray.
P280Wear protective gloves, protective clothing, eye protection and face protection.
P318If exposed or concerned, get medical advice.
P319Get medical help if you feel unwell.
P405Store locked up.
P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

MK-0429 suppliers

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MK-0429 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code MK-0429 is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024

$9.16B

−17.9% vs 2023, imports $10.6B

2019 to 2024

Top exporters

China21.5%
India * partner reported12.3%
Ireland11.6%

Top importers

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for MK-0429 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Parent and salt forms, stereoisomers, similar structures and isomers

Stereoisomers and isotopic forms

Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)

(3R)-3-(6-Methoxy-3-pyridinyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid chemical structure, C23H29N5O4, CAS 227963-86-2

(3R)-3-(6-Methoxy-3-pyridinyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid227963-86-2C₂₃H₂₉N₅O₄

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

Nesvategrast chemical structure, C23H27F2N5O4, CAS 1621332-91-9

84% similar

Nesvategrast1621332-91-9C₂₃H₂₇F₂N₅O₄

Same formula isomers

Different compounds that share this molecular formula

All isomers

$N-Cyclohexyl-7-[2-(2-hydroxyethoxy)ethyl]-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide chemical structure, C23H29N5O4, CAS 663219-13-4$

N-Cyclohexyl-7-[2-(2-hydroxyethoxy)ethyl]-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide663219-13-4C₂₃H₂₉N₅O₄

6-Amino-4-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile chemical structure, C23H29N5O4, CAS 445382-07-0

6-Amino-4-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile445382-07-0C₂₃H₂₉N₅O₄

N'-(4-Ethylphenyl)-N-[2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]ethyl]oxamide chemical structure, C23H29N5O4, CAS 327981-94-2

N'-(4-Ethylphenyl)-N-[2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]ethyl]oxamide327981-94-2C₂₃H₂₉N₅O₄

Butyl 2-[1-methyl-10-(4-methylphenyl)-2,4-dioxo-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepin-3-yl]acetate chemical structure, C23H29N5O4, CAS 302796-74-3

Butyl 2-[1-methyl-10-(4-methylphenyl)-2,4-dioxo-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepin-3-yl]acetate302796-74-3C₂₃H₂₉N₅O₄

Eunalgit chemical structure, C23H29N5O4, CAS 8015-13-2

Eunalgit8015-13-2C₂₃H₂₉N₅O₄

Morpholinoacetildenafil chemical structure, C23H29N5O4, CAS 147676-53-7

Morpholinoacetildenafil147676-53-7C₂₃H₂₉N₅O₄

trans CM-414 chemical structure, C23H29N5O4, CAS 1624792-70-6

trans CM-4141624792-70-6C₂₃H₂₉N₅O₄

1-(3-Ethoxypropyl)-2-imino-8-methyl-5-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide chemical structure, C23H29N5O4, CAS 863198-98-5

1-(3-Ethoxypropyl)-2-imino-8-methyl-5-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide863198-98-5C₂₃H₂₉N₅O₄

N-(3,4-Dimethoxyphenethyl)-2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)acetamide chemical structure, C23H29N5O4, CAS 1019106-00-3

N-(3,4-Dimethoxyphenethyl)-2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)acetamide1019106-00-3C₂₃H₂₉N₅O₄

2-{[3-tert-Butyl-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl]oxy}-N-(2,5-dimethoxyphenyl)acetamide chemical structure, C23H29N5O4, CAS 1020453-68-2

2-{[3-tert-Butyl-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-yl]oxy}-N-(2,5-dimethoxyphenyl)acetamide1020453-68-2C₂₃H₂₉N₅O₄

N-((1S)-1-(((1S)-1-Cyano-2-((3S)-2-oxopyrrolidin-3-yl)ethyl)carbamoyl)-3-methyl-butyl)-4-methoxy-1H-indole-2-carboxamide chemical structure, C23H29N5O4, CAS 2713433-13-5

N-((1S)-1-(((1S)-1-Cyano-2-((3S)-2-oxopyrrolidin-3-yl)ethyl)carbamoyl)-3-methyl-butyl)-4-methoxy-1H-indole-2-carboxamide2713433-13-5C₂₃H₂₉N₅O₄

(Z)-2-((3-Morpholinopropyl)amino)-4-oxo-4-((4-(phenyldiazenyl)phenyl)amino)butanoic acid chemical structure, C23H29N5O4, CAS 1096706-32-9

(Z)-2-((3-Morpholinopropyl)amino)-4-oxo-4-((4-(phenyldiazenyl)phenyl)amino)butanoic acid1096706-32-9C₂₃H₂₉N₅O₄

Frequently asked questions

Quick answers about MK-0429, based on the data on this page

What is MK-0429?

MK-0429 is a chemical substance with the molecular formula C23H29N5O4 and a molar mass of 439.52 g/mol. Its CAS registry number is 227963-15-7. The IUPAC name is (3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid.

What is the CAS number of MK-0429?

The CAS registry number of MK-0429 is 227963-15-7.

What is the molecular formula and weight of MK-0429?

The molecular formula of MK-0429 is C23H29N5O4 and its molar mass is 439.52 g/mol.

What is MK-0429 used for?

Known uses and roles of MK-0429 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is MK-0429 hazardous?

MK-0429 carries the GHS signal word "Danger". Main hazards: may damage fertility or the unborn child, may cause damage to organs through prolonged or repeated exposure. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of MK-0429?

MK-0429 is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy MK-0429?

Post a free request on CompoundList and suppliers of MK-0429 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of MK-0429?

Suppliers quote MK-0429 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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MK-0429

Key facts

What is MK-0429?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

MK-0429 suppliers

MK-0429 price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is MK-0429?

What is the CAS number of MK-0429?

What is the molecular formula and weight of MK-0429?

What is MK-0429 used for?

Is MK-0429 hazardous?

What is the HS code of MK-0429?

Where can I buy MK-0429?

What is the price of MK-0429?

Guides for buyers

Get quotes for MK-0429

Key facts

What is MK-0429?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

MK-0429 suppliers

MK-0429 price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Stereoisomers and isotopic forms

Similar structures

Same formula isomers

Frequently asked questions

What is MK-0429?

What is the CAS number of MK-0429?

What is the molecular formula and weight of MK-0429?

What is MK-0429 used for?

Is MK-0429 hazardous?

What is the HS code of MK-0429?

Where can I buy MK-0429?

What is the price of MK-0429?

Guides for buyers

Get quotes for MK-0429