Terbogrel (CAS 149979-74-8): price, suppliers and safety

What is Terbogrel?

Plain description, key identifiers and synonyms

Terbogrel is a diterpene glycoside.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: (E)-6-[3-[(N'-tert-butyl-N-cyanocarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CAS number: 149979-74-8 CAS number cross-checked
Molecular formula: C₂₃H₂₇N₅O₂
UNII: 5Z4KWQ5OGN
InChIKey: XUTLOCQNGLJNSA-RGVLZGJSSA-N
InChI: InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)/b20-11+
Canonical SMILES: CC(C)(C)N=C(NC#N)Nc1cccc(C(=CCCCC(=O)O)c2cccnc2)c1
Isomeric SMILES: CC(C)(C)N=C(NC#N)NC1=CC=CC(=C1)/C(=C\CCCC(=O)O)/C2=CN=CC=C2

Synonyms

BIBV 308 SE
BIBV-308SE
BIBV-308-SE
(5E)-6-(m-(3-tert-Butyl-2-cyanoguanidino)phenyl)-6-(3-pyridyl)-5-hexenoic acid
6-(3-(((Cyanoamino)((1,1-dimethylethyl)amino)methylene)amino)phenyl)-6-(3-pyridinyl)hexenoic acid
(E)-6-(3-(((Cyanoamino)((1,1-dimethylethyl)amino)methylene)amino)phenyl)-6-(3-pyridinyl)-5-hexenoic acid
terbogrelum
(5E)-6-(3-((Z)-((tert-butylamino)(cyanoamino)methylidene)amino)phenyl)-6-(pyridin-3-yl)hex-5-enoic acid
(E)-6-[3-[(N'-tert-butyl-N-cyanocarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
Terbogel
(E)-6-(3-(((tert-Butylamino)(cyanamido)methylene)amino)phenyl)-6-(pyridin-3-yl)hex-5-enoic acid
Terbogrel (USAN/INN)
E-6-[4-(3-tert-butyl-2-cyanoguanidino)phenyl]-6-(3-pyridyl)hex-5-enoic acid
(E)-6-(3-(((Cyanoamino)((1,1-dimethylethyl)amino)methylene)amino)phenyl)-6-(3-pyridinyl-5-hexenoic acid
(E)-6-(3-(((tert-Butylamino)(cyanamido)methylene)amino)phenyl)-6-(pyridin-3-yl)hex-5-enoicacid
6-{3-[1-(tert-butylamino)-2-cyano-(E)-1-iminomethylamino]phenyl}-6-(3-pyridyl)-(E)-5-hexenoic acid
6-{3-[1-(tert-butylamino)-2-cyano-(Z)-1-iminomethylamino]phenyl}-6-(3-pyridyl)-(Z)-5-hexenoic acid

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	405.50 g/molcalc.
Exact mass	405.2165 Dacalc.
LogP (octanol/water)	4.41calc.
Topological polar surface area	110.4 Å²calc.
Hydrogen bond donors	3calc.
Hydrogen bond acceptors	4calc.
Rotatable bonds	7calc.
Heavy atoms	30calc.
Rings	2calc.
Aromatic rings	2calc.
Fraction sp3 carbons	0.3calc.
Formal charge	0calc.
Stereocentres	0calc.
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

C=C(c1ccccc1)c1cccnc1

2 rings, 14 atoms, the 3-(1-Phenylethenyl)pyridine ring system.

68 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Terbogrel suppliers

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Terbogrel 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 Terbogrel 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 Terbogrel 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

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

6-{3-[2-Cyano-1-cyclohexylamino-(E)-1-iminomethylamino]phenyl}-6-(3-pyridyl)-(E)-5-hexenoic acid chemical structure, C25H29N5O2, CAS 149979-75-9

(E)-6-[3-(3-tert-Butyl-ureido)-phenyl]-6-pyridin-3-yl-hex-5-enoic acid chemical structure, C22H27N3O3, CAS 223754-26-5

Same formula isomers

Different compounds that share this molecular formula

All isomers

1-Cyclohexyl-N-cyclopentyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide chemical structure, C23H27N5O2, CAS 618078-07-2

1-Cyclohexyl-N-cyclopentyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide618078-07-2C₂₃H₂₇N₅O₂

Pf-05175157 chemical structure, C23H27N5O2, CAS 1301214-47-0

Pf-051751571301214-47-0C₂₃H₂₇N₅O₂1 supplier

2-Mpmdq chemical structure, C23H27N5O2, CAS 149847-77-8

2-Mpmdq149847-77-8C₂₃H₂₇N₅O₂

1-Cyclopentyl-2-imino-8-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid cyclopentylamide chemical structure, C23H27N5O2, CAS 797814-69-8

1-Cyclopentyl-2-imino-8-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid cyclopentylamide797814-69-8C₂₃H₂₇N₅O₂

3-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide chemical structure, C23H27N5O2, CAS 900132-10-7

3-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide900132-10-7C₂₃H₂₇N₅O₂

(2E)-2-Cyano-N-cyclohexyl-3-(4-oxo-2-(1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-3-yl)-2-propenamide chemical structure, C23H27N5O2, CAS 477734-61-5

(2E)-2-Cyano-N-cyclohexyl-3-(4-oxo-2-(1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-3-yl)-2-propenamide477734-61-5C₂₃H₂₇N₅O₂

8-(Hexylamino)-3-methyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C23H27N5O2, CAS 476480-35-0

8-(Hexylamino)-3-methyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione476480-35-0C₂₃H₂₇N₅O₂

N'-(4-(Diethylamino)benzylidene)-3-(4-meo-PH)-4-ME-1H-pyrazole-5-carbohydrazide chemical structure, C23H27N5O2, CAS 303104-07-6

N'-(4-(Diethylamino)benzylidene)-3-(4-meo-PH)-4-ME-1H-pyrazole-5-carbohydrazide303104-07-6C₂₃H₂₇N₅O₂

2,9-Diazaspiro[5.5]undecan-1-one, 2-(1H-indol-3-ylMethyl)-9-(4-Methoxy-2-pyriMidinyl)- chemical structure, C23H27N5O2, CAS 1373765-19-5

2,9-Diazaspiro[5.5]undecan-1-one, 2-(1H-indol-3-ylMethyl)-9-(4-Methoxy-2-pyriMidinyl)-1373765-19-5C₂₃H₂₇N₅O₂

$N-Cyclohexyl-7-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide chemical structure, C23H27N5O2, CAS 663219-08-7$

N-Cyclohexyl-7-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide663219-08-7C₂₃H₂₇N₅O₂

N-(5,6-Dihydro-6-oxobenzo[c]-1,5-naphthyridin-2-yl)-4-(1-pyrrolidinyl)-1-piperidineacetamide chemical structure, C23H27N5O2, CAS 690954-51-9

N-(5,6-Dihydro-6-oxobenzo[c]-1,5-naphthyridin-2-yl)-4-(1-pyrrolidinyl)-1-piperidineacetamide690954-51-9C₂₃H₂₇N₅O₂

3-(2-(3,4-Dihydroquinolin-1(2H)-yl)-2-oxoethyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-propylpyrimidin-4(3H)-one chemical structure, C23H27N5O2, CAS 1002430-07-0

3-(2-(3,4-Dihydroquinolin-1(2H)-yl)-2-oxoethyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-propylpyrimidin-4(3H)-one1002430-07-0C₂₃H₂₇N₅O₂

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Terbogrel

Key facts

What is Terbogrel?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Terbogrel suppliers

Terbogrel price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Guides for buyers

Get quotes for Terbogrel

Key facts

What is Terbogrel?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Terbogrel suppliers

Terbogrel price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Similar structures

Same formula isomers

Guides for buyers

Get quotes for Terbogrel