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AG0071VG

425386-60-3 | Semagacestat

AG0071VG

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CAS Number	425386-60-3
Catalog Number	AG0071VG(AGN-PC-0WAF1A)
Chemical Name	Semagacestat
IUPAC Name	(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
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
InChI Key	PKXWXXPNHIWQHW-RCBQFDQVSA-N
MDL Number	MFCD09970409
Molecular Formula	C19H27N3O4
Molecular Weight	361.4354
SMILES	CC([C@@H](C(N[C@H](C(N[C@H]1C2=CC=CC=C2CCN(C1=O)C)=O)C)=O)O)C
UNII	3YN0602W4W
Synonyms	LY 411,575, LY 411575, LY 450139, LY-411,575, LY-411575, LY411,575, LY411575, LY450139, N2-((2S)-2-(3,5-difluorophenyl)-2-hydroxyethanoyl)-N1-((7S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo(b,d)azepin-7-yl)-L-alaninamide, N2-(2-(3,5-difluorophenyl)-2-hydroxyethanoyl)-N1-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo(b,d)azepin-7-yl)alaninamide, Semagacestat, Semagacestat, 425386-60-3, LY-450139, LY450139, Semagacestat (LY450139), UNII-3YN0602W4W, LY 450139, (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, 3YN0602W4W, (2S)-2-hydroxy-3-methyl-N-[(1S)-1-methyl-2-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-2-oxo-ethyl]butanamide, (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], PubChem20549, Semagacestat (USAN/INN), Semagacestat(LY450139), Semagacestat; LY450139, 866488-53-1, MLS006010180, SCHEMBL417581, CHEMBL520733, GTPL6978, BDBM28944, CTK8D4032, AOB3027, DTXSID10235740, QCR-178, CHEBI:131158, PKXWXXPNHIWQHW-RCBQFDQVSA-N, BCPP000174, EX-A2257, ZINC3989041, ABP000262, MFCD25542369, s1594, AKOS015924574, BCP9000888, CS-0292, DB12463, EX-1762, RL03639, NCGC00346556-01, AC-24396, AN-16520, AS-42018, BC683736, HY-10009, SC-98053, SMR004701288, AB0000748, TC-060612, FT-0084334, FT-0660249, X7560, A25230, D09377, LY450139, >=98% (HPLC), S-1300, 386S603, J-501018, L-450139, LY450139(Semagacestat) /LY-450139/Semagacestat, LY-450139, LY450139, 425386-60-3, (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-oxopropan-2-yl)butanamide, (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, (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, (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]butanamid e, (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(1S)-3-methyl-2-oxo-4,5-dihydro-1H-3-benzazepin-1-yl]amino]-1-oxopropan-2-yl]butanamide, (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-oxopropan-2-yl]butanamid, (N)-((S)-2-Hydroxy-3-methyl-butyryl)-1-(L-alaninyl)-(S)-1-amino-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-2-one, 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)-, N2-((2S)-2-(3,5-Difluorophenyl)-2-hydroxyethanoyl)-N1-((7S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo(b,d)azepin-7-yl)-L-laninamide, N2-((2S)-2-Hydroxy-3-methylbutanoyl)-N1-((1S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-3-benzazepin-1-yl)-L-alaninamide, Semagacestat;(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, dapt, Semagacestat [USAN], D01LXD, cc-411, C19H27N3O4, Semagacestat, 97% - 25MG 25mg, CB11411, CB11412, CID9843750, CID 9950813, AN-37124, AN-44989, LY-374973, LY-411575, LY-424354, A8190, LY-4501395, A10836, Gamma-secretase inhibitors (Alzheimer's disease), Elan Pharmaceuticals/Eli Lilly,

Complexity	537
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	361.2g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	361.442g/mol
Monoisotopic Mass	361.2g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	98.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
Signal Words	warning
UN Code

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CERTIFICATE OF ANALYSIS

Chemical Name:	Batch Number:
Chemical Structure:	CAS Registry No:
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Analysis Data:

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Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited