Devazepide
Also known as Devazepida, Devazepidum, MK 329
Key facts
What buyers check first
- CAS number
- 103420-77-5
- Formula
- C25H20N4O2
- Molar mass
- 408.46 g/mol
- EC number
- 683-026-0
- HS code
- 293379
- Category
- Hormones and steroids
What is Devazepide?
Plain description, key identifiers and synonyms
Devazepide is an indolecarboxamide obtained by formal condensation of the carboxy group of indole-2-carboxylic acid with the exocyclic amino group of (3S)-3-amino-1-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one. A cholecystokinin antagonist used for treatment of gastrointestinal disorders. It has a role as an antineoplastic agent, a gastrointestinal drug, an apoptosis inducer and a cholecystokinin antagonist. It is a 1,4-benzodiazepinone and an indolecarboxamide.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
- CAS number
- 103420-77-5 CAS number cross-checked
- EC number
- 683-026-0
- Molecular formula
- C25H20N4O2
- UNII
- JE6P7QY7NH
- MDL number
- MFCD00864500
- InChIKey
- NFHRQQKPEBFUJK-HSZRJFAPSA-N
- InChI
- InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
- Canonical SMILES
- CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21
- Isomeric SMILES
- CN1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)C3=CC4=CC=CC=C4N3)C5=CC=CC=C5
Synonyms
- Devazepida
- Devazepidum
- MK 329
- (S)-N-(2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)indole-2-carboxamide
- 3(S)-(-)-1,3-Dihydro-3-(2-indolecarbonylamino)-1-methyl-5-phenyl-2H-(1,4)benzodiazepin-2-one
- N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
- 1H-Indole-2-carboxamide, N-(2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-, (S)-
- N-((3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
- N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
- N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
- (S)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-1H-indole-2-carboxamide
- Devacade
- Devazepide (Standard)
- Devazepide (USAN/INN)
- CCK antagonist synthetic 17
- CCK antagonist synthetic 18
- 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide
- PDSP1_000936
- PDSP2_000922
- Devazepide, >=98% (HPLC), powder
- (R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide: 0.1C4H10O
- (S)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide
- (Z)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-1H-indole-2-carboxamide
- 1H-Indole-2-carboxylic acid ((S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide
- 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide (L-364,718 ((S)-devazepide)
Show all 30 synonymsShow fewer synonyms
- 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide (MK-329, L-364,718)
- 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide(Devazepide or (R) L364718)
- 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide(devazepide)
- 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide(L-364718)
- 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide: 0.1C4H10O. 0.15CH2Cl2
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 | 408.46 g/molcalc.Computed value |
|---|---|
| Exact mass | 408.1586 Dacalc.Computed value |
| LogP (octanol/water) | 3.74calc.Computed value |
| Topological polar surface area | 77.56 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 3calc.Computed value |
| Heavy atoms | 31calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.08calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc2ccccc2[nH]1
5 rings, 30 atoms.
35 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H300Fatal if swallowed.
Precautionary statements (7)
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- 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 aidDevazepide suppliers
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- China, ChangzhouUnclaimed profileDevazepideGrade, purity and minimum order on requestPrice on request
- Price on request
- China, ChengduUnclaimed profileDevazepideGrade, purity and minimum order on requestPrice on request
- United States, San DiegoUnclaimed profileDevazepideGrade, purity and minimum order on requestPrice on request
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- Netherlands, RotterdamUnclaimed profileDevazepideGrade, purity and minimum order on requestPrice on request
- United Kingdom, HadfieldUnclaimed profileDevazepideGrade, purity and minimum order on requestPrice on request
- United States, HopkintonUnclaimed profileDevazepideGrade, purity and minimum order on requestPrice on request
- Lithuania, KaunasUnclaimed profileDevazepideGrade, purity and minimum order on requestPrice on request
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Where suppliers are based
9 suppliers in 5 countries
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Devazepide 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
Pharmacological actions
- Hormone Antagonists
Roles
- antagonist
- antineoplastic agent
- apoptosis inducer
- cholecystokinin antagonist
- gastrointestinal drug
- hormone antagonist
- hormone receptor modulator
- pharmaceutical
- receptor modulator
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 Devazepide is traded under.
Lactams, other lactams
* Partner reported figures, a lower bound.
The HS code shown for Devazepide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Devazepide, based on the data on this page
What is Devazepide?
What is the CAS number of Devazepide?
What is the molecular formula and weight of Devazepide?
What is Devazepide used for?
Is Devazepide hazardous?
What is the HS code of Devazepide?
Where can I buy Devazepide?
What is the price of Devazepide?
Guides for buyers
Practical guides that help when you source, ship or handle Devazepide
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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