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PHA-665752

CAT: 0607-A2307-5.1Size: 10 mM (in 1mL DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-A2307-5.1Size:10 mM (in 1mL DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
C-Met inhibitor,potent and ATP-competitive
CAS Number
477575-56-7
Product Name Alternative
(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
Field of Research
Tyrosine Kinase c-MET
Purity
0.98
Form
A solid
Solubility
insoluble in H2O; ≥3.1 mg/mL in EtOH with ultrasonic; ≥32.1 mg/mL in DMSO
Smiles
CC1=C(NC(=C1C(=O)N2CCCC2CN3CCCC3)C)C=C4C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O
Molecular Formula
C32H34Cl2N4O4S
Molecular Weight
641.61
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

(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

PHA-665752 is a member of the class of indolones that is 1,3-dihydro-2H-indol-2-one which is substituted by a (2,6-dichlorobenzyl)sulfonyl group at position 5 and by a (1H-pyrrol-2-yl)methylidene group at position 2, the pyrrole ring of which is substituted by methyl groups at positions 3 and 5, and by a [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl group at position 4 (the Z,R isomer). It has a role as an antineoplastic agent and a c-Met tyrosine kinase inhibitor. It is a secondary carboxamide, a tertiary carboxamide, a dichlorobenzene, a member of indolones, a sulfone, a N-acylpyrrolidine, a pyrrolecarboxamide and an enamide.

CAS Number477575-56-7
PubChem CID10461815
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
Molecular FormulaC32H34Cl2N4O4S
Molecular Weight641.6
XLogP5
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity1180
SMILES
CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O
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
InChIKey
OYONTEXKYJZFHA-SSHUPFPWSA-N
Chemical Structure
2D Structure
2D structure of (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
CAS: 477575-56-7
CID: 10461815
Formula: C32H34Cl2N4O4S
MW: 641.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight641.6
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass640.1677821
Monoisotopic Mass640.1677821
Topological Polar Surface Area111 Ų
Heavy Atom Count43
Formal Charge0
Complexity1180
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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