AG002KDZ

209783-80-2 | (Pyridin-3-yl)methyl 4-(2-aminophenylcarbamoyl)benzylcarbamate

AG002KDZ

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CAS Number	209783-80-2
Catalog Number	AG002KDZ(AGN-PC-0JK6TB)
Chemical Name	(Pyridin-3-yl)methyl 4-(2-aminophenylcarbamoyl)benzylcarbamate
IUPAC Name	pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
InChI	InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
InChI Key	INVTYAOGFAGBOE-UHFFFAOYSA-N
MDL Number	MFCD08272435
Molecular Formula	C21H20N4O3
Molecular Weight	376.4085
NSC Number	706995
SMILES	NC1=C(C=CC=C1)NC(=O)C1=CC=C(CNC(OCC=2C=NC=CC2)=O)C=C1
UNII	1ZNY4FKK9H
Synonyms	entinostat, MS 27-275, MS 275, MS-27-275, MS-275, N-(2-aminophenyl)-4-(N-(pyridin-3-ylmethoxycarbonyl)aminomethyl)benzamide, SNDX-275, Entinostat, 209783-80-2, ms-275, SNDX-275, MS 275, MS-27-275, SNDX 275, Entinostat (MS-275), MS 27-275, Histone Deacetylase Inhibitor I, UNII-1ZNY4FKK9H, Entinostat (MS-275,SNDX-275), 1ZNY4FKK9H, CHEMBL27759, pyridin-3-ylmethyl 4-(2-aminophenylcarbamoyl)benzylcarbamate, pyridin-3-ylmethyl 4-((2-aminophenyl)carbamoyl)benzylcarbamate, pyridin-3-ylmethyl {4-[(2-aminophenyl)carbamoyl]benzyl}carbamate, INVTYAOGFAGBOE-UHFFFAOYSA-N, MS275, N-(2-aminophenyl)-4-(N-(pyridin-3-ylmethoxycarbonyl)aminomethyl)benzamide, pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate, NSC706995, BAY86-5274, NSC-706995, BAY 86-5274, AK158952, 3-Pyridinylmethyl ((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)carbamate, Carbamic acid, ((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)-, 3-pyridinylmethyl ester, W-201831, 3-pyridylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate, pyridin-3-ylmethyl N-({4-[(2-aminophenyl)carbamoyl]phenyl}methyl)carbamate, N-[[4-[(2-aminoanilino)-oxomethyl]phenyl]methyl]carbamic acid 3-pyridinylmethyl ester, Entinostat (USAN/INN), entinostatum, pyridin-3-ylmethyl (4-((2-aminophenyl)carbamoyl)benzyl)carbamate, N-(2-aminophenyl)-4-[N-(pyridin-3-ylmethoxycarbonyl)aminomethyl]benzamide, 3-pyridinylmethyl [[4-[[(2-aminophenyl)amino]carbonyl]phenyl]methyl]carbamate, IN1470, PubChem24433, AC1L1HRM, AC1Q5NOI, Entinostat [USAN:INN], MS-275 (Entinostat), MS-275 - Entinostat, benzamide-type inhibitor, 3, MLS006010183, SCHEMBL148309, GTPL7007, DTXSID0041068, BDBM19410, CTK8F0220, AOB2570, EX-A038, SYN3039, CHEBI:132082, BCPP000155, HMS3648K12, HMS3654O11, ACT06782, BCP01824, MS-275,Entinostat,SNDX-275/, ZINC1488870, ABP000145, BN0881, GP3697, MFCD08272435, s1053, AKOS024262667, N-(2-Aminophenyl)-4-[N-(pyridin-3-yl-methoxycarbonyl)aminomethyl]benzamide, AC-8968, AN-1299, BCP9000967, Carbamic acid, 3-pyridinylmethyl ester, CCG-208680, CS-0511, DB11841, Entinostat (MS-275, SNDX-275), RL02591, SB16665, Carbamic acid, [[4-[[(2-aminophenyl)carbaonyl]phenyl]methyl]-, 3-pyridinylmethyl ester, KS-0000063I, NCGC00165833-01, NCGC00165833-02, NCGC00165833-03, NCGC00165833-04, NCGC00165833-13, AJ-26331, AS-17906, BC654076, HY-12163, MS27-275, NCI60_038022, SMR004458705, MS-275, A HDAC1 and HDAC3 inhibitor, AB0021206, AX8140473, LS-185285, RT-013958, ST2406823, FT-0667871, SW219667-1, V2451, EC-000.2117, D09338, W-5370, 48247-EP2298768A1, 48247-EP2305643A1, 48247-EP2308868A1, 48247-EP2311494A1, 48247-EP2311840A1, 783M802, A815057, MS-275,Entinostat, SNDX-275, MS-27-275, SR-01000946382, SR-01000946382-1, BRD-K77908580-001-02-1, BRD-K77908580-001-04-7, (pyridin-3-yl)methyl 4-(2-aminophenylcarbamoyl)benzylcarbamate, [4-(2-Amino-phenylcarbamoyl)-benzyl]-carbamic acid pyridin-3-ylmethyl ester, N-[[4-[[(2-Aminophenyl)amino]carbonyl]phenyl]methyl]-3-pyridinylmethyl ester, carbamic acid, Carbamic acid, N-[[4-[[(2-aminophenyl)amino]carbonyl]phenyl]methyl]-, 3-pyridinylmethyl ester, D0M8FD, cc-216, CID4261, C21H20N4O3, AR-1L2666, RW4114, A8171, A10611, C118739, pyridin-3-ylmethyl{4-[(2-aminophenyl)carbamoyl]benzyl}carbamate, Entinostat, SNDX-275, MS-27-275, MS-275, N-(2-Aminophenyl)-4-[N-(pyridine-3-ylmethoxycarbonyl)aminomethyl]benzamide, 442532-99-2, 4767-61-7, 703-95-7, Carbamic acid, [[4-[[(2-aminophenyl)amino]carbonyl]phenyl] methyl]-, 3-pyridinylmethyl ester, Carbamic acid, N-((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)-, 3- pyridinylmethyl ester,

Complexity	508
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	376.154g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	376.416g/mol
Monoisotopic Mass	376.154g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	106A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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