PF-4878691 100mg

CAT: 0628-A12233-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A12233-100Size:100 mg

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CAS Number

532959-63-0

Chemical Information

N-(4-(4-amino-2-ethyl-1H-imidazo(4,5c)quinolin-1-yl)butyl)methanesulfonamide

852A has been used in trials studying the treatment of Melanoma, Neoplasms, Breast Cancer, Ovarian Cancer, and Cervical Cancer, among others.

CAS Number	532959-63-0
PubChem CID	10309114
IUPAC Name	N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide
Molecular Formula	C17H23N5O2S
Molecular Weight	361.5
XLogP	1.9
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	25
Formal Charge	0
Complexity	538

SMILES

CCC1=NC2=C(N1CCCCNS(=O)(=O)C)C3=CC=CC=C3N=C2N

InChI

InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)

InChIKey

YZOQZEXYFLXNKA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 532959-63-0

CID: 10309114

Formula: C17H23N5O2S

MW: 361.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	361.5
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	361.15724617
Monoisotopic Mass	361.15724617
Topological Polar Surface Area	111 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	538
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes