AG0035AD

1029872-54-5 | N-[3-[[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-1-propanesulfonamide

AG0035AD

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CAS Number	1029872-54-5
Catalog Number	AG0035AD(AGN-PC-06890T)
Chemical Name	N-[3-[[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-1-propanesulfonamide
IUPAC Name	N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
InChI	InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
InChI Key	GPXBXXGIAQBQNI-UHFFFAOYSA-N
MDL Number	MFCD18074504
Molecular Formula	C23H18ClF2N3O3S
Molecular Weight	489.9221
NSC Number	761431
SMILES	ClC1=CC=C(C=C1)C=1C=C2C(=NC1)NC=C2C(=O)C=2C(=C(C=CC2F)NS(=O)(=O)CCC)F
UNII	207SMY3FQT
Synonyms	PLX 4032, PLX4032, R05185426, RG 7204, RG-7204, RG7204, vemurafenib, Zelboraf, Vemurafenib, 918504-65-1, PLX4032, Zelboraf, 1029872-54-5, PLX-4032, RG7204, N-(3-(5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide, PLX 4032, Vemurafenib (PLX4032, RG7204), RG 7204, RO5185426, UNII-207SMY3FQT, Vemurafenib (PLX4032), RO 5185426, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide, RG-7204, 207SMY3FQT, CHEBI:63637, NSC761431, 1-PROPANESULFONAMIDE, N-[3-[[5-(4-CHLOROPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]CARBONYL]-2,4-DIFLUOROPHENYL]-, N-[3-[[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-1-PropanesulfonaMide, AK-56796, Vemurafenib;PLX-4032, RO-5185426, C23H18ClF2N3O3S, N-(3-((5-(4-Chlorophenyl)-1H-pyrrolo(2,3-b)pyridin-3-yl)carbonyl)-2,4- difluorophenyl)propane-1-sulfonamide, Zelboraf (TN), n-(3-((5-(4-chlorophenyl)-1h-pyrrolo(2,3-b)pyridin-3-yl)carbonyl)-2,4-difluorophenyl)-1-propanesulfonamide, N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl]propane-1-sulfonamide, N-{3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide, Vemurafenib [USAN:INN], vemurafenibum, Ro 51-85426, HSDB 8143, N-(3-{(5-(4-chlorophenyl)-1H-pyrrolo(2,3-b)pyridin-3-yl)carbonyl}-2,4- difluorophenyl)propane-1-sulfonamide, 3og7, PLX4032 (Vemurafenib), PLX4032 - Vemurafenib, PLX4032 ,Vemurafenib ,, SCHEMBL298931, Vemurafenib (JAN/USAN/INN), GTPL5893, QCR-44, CHEMBL1229517, CTK8C3113, DTXSID50238710, EX-A053, SYN1161, GPXBXXGIAQBQNI-UHFFFAOYSA-N, ZX-AFC000306, HMS3265M03, HMS3265M04, HMS3265N03, HMS3265N04, HMS3654P09, AOB87705, BCP25783, EX-A1335, ABP000429, ANW-69692, BDBM50396483, MFCD18074504, s1267, ZINC52509366, AKOS007930804, ACN-030372, AM81259, AN-1313, CS-0216, DB08881, MCULE-7244406627, ME-0096, NSC-761431, PB11741, RL05788, TRA0082406, KS-0000002Q, NCGC00250399-01, NCGC00250399-05, Vemurafenib, RG7204, RO5185426, 1-Propanesulfonamide, N-(3-((5-(4-chlorophenyl)-1H-pyrrolo(2,3-b)pyridin-3- yl)carbonyl)-2,4-difluorophenyl)-, 4CA-1032, AC-25010, BC626573, HY-12057, SC-54548, AB0031775, AB1009703, AX8212389, TC-158437, FT-0660388, FT-0675792, FT-0689782, ST24048327, SW218095-2, Y0473, BRAF(V600E) Kinase Inhibitor RO5185426, PLX-4032(RG7204)/PLX4032, A25476, D09996, Q-3409, R-7204, AB01273970-01, AB01273970_03, SR-01000941568, carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide, J-522975, J-690009, SR-01000941568-1, BRD-K56343971-001-02-3, BRD-K56343971-001-05-6, N-(3-(5-(4-Chlorophenyl)-1H-pyrrolo[2,3-B]pyridine, PLX4032,Vemurafenib, RG7204, RO5185426, Zelboraf, N-{3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-, PLX4032, RG7204, RO5185426, 1029872-54-5, [(2S,5R)-2,5-Dimethyl-4-[(tetrahydro-2H-pyran-4-yl)methyl]-1-piperazinyl][3-[(5-fluoro-2-methyl-4-pyrimidinyl)amino]-4,6-dihydro-6,6 -dimethylpyrrolo[3,4-c]pyrazol-5(1H)-yl]methanone, N-(3-(5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)-propane-1-sulfonamide, propane-1-sulfonic acid {3-[5-(4-chloro-phenyl)-1h-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl}-amide, Vemurafenib [USAN], cc-7, D0Y9EW, Vemurafenib (BRAF inhibitor), RW4117, CS-O-10915, C23-H18-Cl-F2-N3-O3-S, Vemurafenib, 99% - 100MG 100mg, R7204, A3004, A10739, C551177, R05185426, D000077484, 2-(4-tert-Butyl-2,6-dimethylbenzyl)-2-imidazoline hydrochloride, 1-Propanesulfonamide, N-(3-((5-(4-chlorophenyl)-1H-pyrrolo(2,3-b)pyridin-3-yl)carbonyl)-2,4-difluorophenyl)-, N-(2,4-Difluoro-3-(5-(pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl)propane-2-sulfinamide,

Complexity	790
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	489.073g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	489.922g/mol
Monoisotopic Mass	489.073g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	100A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H350-H360-H410
Packing Group	Ⅲ
Precautionary statements	P201-P273-P308+P313
UN Code	UN 2811

Certificate of Analysis

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