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AG00DB78

477575-56-7 | PHA-665752

AG00DB78

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CAS Number	477575-56-7
Catalog Number	AG00DB78(AGN-PC-0RW1LI)
Chemical Name	PHA-665752
IUPAC Name	(3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
InChI	InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m1/s1
InChI Key	OYONTEXKYJZFHA-SSHUPFPWSA-N
MDL Number	MFCD07772270
Molecular Formula	C32H34Cl2N4O4S
Molecular Weight	641.6078
SMILES	O=C(C1=C(NC(/C=C2C(NC3=C2C=C(C=C3)S(=O)(CC4=C(C=CC=C4Cl)Cl)=O)=O)=C1C)C)N5[C@H](CCC5)CN6CCCC6
UNII	0VXU5T5R3J
Synonyms	5-((2,6-dichlorobenzyl)sulfonyl)-3-((3,5-dimethyl-4-((2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)carbonyl)-1H-pyrrol-2-yl)methylene)-1,3-dihydro-2H-indol-2-one, PHA 665752, PHA-665752, PHA665752, PHA-665752, 477575-56-7, PHA 665752, PHA665752, TCMDC-125885, UNII-0VXU5T5R3J, (2R)-1-[[5-[(Z)-[5-[[(2,6-DICHLOROPHENYL)METHYL]SULFONYL]-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE]METHYL]-2,4-DIMETHYL-1H-PYRROL-3-YL]CARBONYL]-2-(1-PYRROLIDINYLMETHYL)PYRROLIDINE, 0VXU5T5R3J, CHEMBL450786, CHEBI:90197, (R,Z)-5-(2,6-dichlorobenzylsulfonyl)-3-((3,5-dimethyl-4-(2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl)-1H-pyrrol-2-yl)methylene)indolin-2-one, PHA-665752 hydrate, (2R)-1-[[5-[(Z)-[5-[[(2,6-Dichlorophenyl)methyl]sulfonyl]-1,2-dihydro-2-oxo-3H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]c arbonyl]-2-(1-pyrrolidinylmethyl)pyrrolidine, (3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one, (R,Z)-5-((2,6-dichlorobenzyl)sulfonyl)-3-((3,5-dimethyl-4-(2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl)-1H-pyrrol-2-yl)methylene)indolin-2-one, OYONTEXKYJZFHA-SSHUPFPWSA-N, (3Z)-5-[[(2,6-Dichlorophenyl)methyl]sulfonyl]-3-[[3,5-dimethyl-4-[[(2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl]-1H-pyrrol-2-yl]methylene]-1,3-dihydro-2H-indol-2-one hydrate, cc-47, SCHEMBL93654, C32H34Cl2N4O4S, GTPL5700, DTXSID30197270, EX-A019, BCPP000112, HMS3269N19, HMS3677B20, ZINC3938668, 2650AH, ABP000082, BDBM50242737, MFCD07772270, MFCD18632554, AKOS015896678, AN-5317, CS-0137, QC-7247, RL03780, SB19369, 2H-Indol-2-one, 5-(((2,6-dichlorophenyl)methyl)sulfonyl)-3-((3,5-dimethyl-4-(((2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl)carbonyl)-1H-pyrrol-2-yl)methylene)-1,3-dihydro-, (3Z)-, 4CA-1009, HY-11107, SC-28082, AB0007915, TC-063062, S1070, EC-000.2429, A15588, W-5353, I06-2251, J-500906, BRD-K95435023-001-01-0, BRD-K95435023-001-10-1, (2R)-1-[[5-[(Z)-[5-[[(2,6-DICHLOROPHENYL)METHYL]SU, (3Z)-5-[(2,6-dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one, (3Z)-5-[(2,6-dichlorophenyl)methanesulfonyl]-3-({3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl}methylidene)-1H-indol-2-one, (3Z)-5-[(2,6-dichlorophenyl)methanesulfonyl]-3-({3,5-dimethyl-4-[(2R)-2-[(pyrrolidin-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl}methylidene)-2,3-dihydro-1H-indol-2-one, (3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylene]indolin-2-one, (3Z)-5-[[(2,6-Dichlorophenyl)methyl]sulfonyl]-3-[[3,5-dimethyl-4-[[(2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl]-1H-pyrrol-2-yl]methylene]-1,3-dihydro-2H-indol-2-one, (3Z)-5-{[(2,6-dichlorophenyl)methane]sulfonyl}-3-[(3,5-dimethyl-4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one, 5-(2,6-dichloro-phenylmethanesulfonyl)-3-[1-[3,5-dimethyl-4-((r)-2-pyrrolidin-1-ylmethyl-pyrrolidine-1-carbonyl)-1h-pyrrol-2-yl]-meth-(z)-ylidene]-1,3-dihydro-indol-2-one, D00TBD, ACN-031556, CID10461815, A2307, C480541, -1-[[5-[ -[5-[[ METHYL]SULFONYL]-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE]METHYL]-2,4-DIMETHYL-1H-PYRROL-3-YL]CARBONYL]-2- PYRROLIDINE, 2H-Indol-2-one, 5-[[(2,6-dichlorophenyl)methyl]sulfonyl]-3-[[3,5-dimethyl-4-[[(2R)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]carbonyl]-1H-pyrrol-2-yl]methylene]-1,3-dihydro-, (3Z)-, 5-((2,6-dichlorobenzyl)sulfonyl)-3-((3,5-dimethyl-4-((2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)carbonyl)-1H-pyrrol-2-yl)methylene)-1,3-dihydro-2H-indol-2-one,

Complexity	1180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Exact Mass	640.168g/mol
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	641.608g/mol
Monoisotopic Mass	640.168g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-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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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited