AG001HMC

1420477-60-6 | Benzamide, 4-[8-amino-3-[(2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinyl-

AG001HMC

SDS

COA

TIP This product is typically in stock.Please contact us for quotation.

Request For Quotation

• mg
• g
• kg
• ml
• L

No data

• mg
• g
• kg
• ml
• L

No data

No data

Inquire

CAS Number	1420477-60-6
Catalog Number	AG001HMC(AGN-PC-0WNW2Y)
Chemical Name	Benzamide, 4-[8-amino-3-[(2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinyl-
IUPAC Name	4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
InChI	InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1
InChI Key	WDENQIQQYWYTPO-IBGZPJMESA-N
MDL Number	MFCD29472294
Molecular Formula	C26H23N7O2
Molecular Weight	465.5065
SMILES	O=C(NC1=NC=CC=C1)C2=CC=C(C3=C4C(N)=NC=CN4C([C@H]5N(C(C#CC)=O)CCC5)=N3)C=C2
UNII	I42748ELQW
Synonyms	acalabrutinib, ACP-196, Acalabrutinib, 1420477-60-6, ACP-196, Calquence, UNII-I42748ELQW, Acalabrutinib (ACP-196), I42748ELQW, Benzamide, 4-(8-amino-3-((2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl)imidazo(1,5-a)pyrazin-1-yl)-N-2-pyridinyl-, Acalabrutinib [INN], Acalabrutinib [USAN:INN], Calquence (TN), Benzamide, 4-[8-amino-3-[(2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinyl-, Acalabrutinib(ACP196), ACP-196;Acalabrutinib, GTPL8912, Acalabrutinib (JAN/USAN/INN), CHEMBL3707348, SCHEMBL14637368, ACP 196, EX-A881, WDENQIQQYWYTPO-IBGZPJMESA-N, 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide, KS-000006AD, KS-000006AT, BDBM50175583, MFCD29472294, s8116, ZINC208774715, CS-5356, DB11703, DS-3326, SB19176, NCGC00479074-01, HY-17600, SC-41557, Example 6 [US20140155385 A1], D10893, J-690166, (S)-4-(8-amino-3-(1-but-2-ynoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide, 4-[8-Amino-3-[(2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinylbenzamide, Atglistatin, Acalabrutinib enantiomer, ACN-051536, 1952316-43-6,

Complexity	845
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	465.191g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	465.517g/mol
Monoisotopic Mass	465.191g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number