(2S)-2-Hydroxy-3-methyl-N-[(2S)-1-{[(1S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-3-benzazepin-1-yl]amino}-1-oxo-2-propanyl]butanamide

Basic Information

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CAS Number

425386-60-3

Molecular Formula

C19H27N3O4

Molecular Weight

361.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

681.904°C at 760 mmHg

Flash Point

366.2℃

SMILES

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CC(C)C(C(=O)NC(C)C(=O)NC1C2=CC=CC=C2CCN(C1=O)C)O

InChI

InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1

InChIKey

PKXWXXPNHIWQHW-RCBQFDQVSA-N

LogP

0.38000000000000034

Topological Polar Surface Area

98.74 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

537

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

425386-60-3
AMY36446
LY 450139
PKXWXXPNHIWQHW-RCBQFDQVSA-N
BDBM28944
ESF
BCPP000174
(2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-3-benzazepin-1-yl]carbamoyl}ethyl]butanamide
A25230
s1594
AS-42018
GTPL6978
Semagacestat [USAN]
SEMAGACESTAT [WHO-DD]
(2S)-2-HYDROXY-3-METHYL-N-[(1S)-1-METHYL-2-OXO-2-[[(1S)-2,3,4,5-TETRAHYDRO-3-METHYL-2-OXO-1H-3-BENZAZEPIN-1-YL]AMINO]ETHYL]BUTANAMIDE
Semagacestat (USAN/INN)
BUTANAMIDE, 2-HYDROXY-3-METHYL-N-((1S)-1-METHYL-2-OXO-2-(((1S)-2,3,4,5-TETRAHYDRO-3-METHYL-2-OXO-1H-3-BENZAZEPIN-1-YL)AMINO)ETHYL)-, (2S)-
Semagacestat (LY450139)
(S)-2-hydroxy-3-methyl-N-((S)-1-((S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-ylamino)-1-oxopropan-2-yl)butanamide
(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide
DTXSID10235740
SEMAGACESTAT [MI]
HMS3884G21
NSC755982
NCGC00346556-07
CCG-268180
HY-10009
LY450139
EX-A2257
SMR004701288
(2S)-2-hydroxy-3-methyl-N-[(1S)-1-methyl-2-oxo-2-[[(1S)-2,3,4,5-tetrahydro-3-methyl-2-oxo-1H-3-benzazepin-1-yl]amino]ethyl]-butanamide

MDL Number

MFCD09970409

FAQ

What is (2S)-2-Hydroxy-3-methyl-N-[(2S)-1-{[(1S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-3-benzazepin-1-yl]amino}-1-oxo-2-propanyl]butanamide (CAS: 425386-60-3)?

This compound, CAS 425386-60-3, is a complex organic molecule with a unique structure. It contains a hydroxyl group, a methyl group, and a benzazepine functional group.

What are the main uses of (2S)-2-Hydroxy-3-methyl-N-[(2S)-1-{[(1S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-3-benzazepin-1-yl]amino}-1-oxo-2-propanyl]butanamide (CAS: 425386-60-3)?

This compound is primarily used in pharmaceutical research for its potential therapeutic effects. It may also have applications in the development of new drugs targeting specific biological pathways.

Is (2S)-2-Hydroxy-3-methyl-N-[(2S)-1-{[(1S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-3-benzazepin-1-yl]amino}-1-oxo-2-propanyl]butanamide (CAS: 425386-60-3) safe?

This compound is generally safe for laboratory use with appropriate safety measures. It is important to follow proper handling and disposal protocols to minimize risks. Adequate ventilation and personal protective equipment should be used.

How should (2S)-2-Hydroxy-3-methyl-N-[(2S)-1-{[(1S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-3-benzazepin-1-yl]amino}-1-oxo-2-propanyl]butanamide (CAS: 425386-60-3) be stored?

This compound should be stored in a cool, dry place away from direct sunlight. It is recommended to keep it in a tightly sealed container to prevent degradation. Optimal storage conditions include a temperature range of 15-25°C and a relative humidity below 60%.