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QS 11

CAT: 1410-M17682-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M17682-02Size:5 mg
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Description
QS 11 is a GTPase activating protein of ADP-ribosylation factor 1 (ARFGAP1) inhibitor.
CAS Number
944328-88-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
567.7
Molecular Formula
C36H33N5O2
Notes
Research use only, not for human use.
Receptor
ARFGAP1

Chemical Information

(S)-2-((9-([1,1'-biphenyl]-4-ylmethyl)-2-((2,3-dihydro-1H-inden-5-yl)oxy)-9H-purin-6-yl)amino)-3-phenylpropan-1-ol

(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yloxy)-9-[(4-phenylphenyl)methyl]-6-purinyl]amino]-3-phenyl-1-propanol is a member of biphenyls.

CAS Number944328-88-5
PubChem CID42623900
IUPAC Name(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yloxy)-9-[(4-phenylphenyl)methyl]purin-6-yl]amino]-3-phenylpropan-1-ol
Molecular FormulaC36H33N5O2
Molecular Weight567.7
XLogP7.6
Topological Polar Surface Area85.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count43
Formal Charge0
Complexity841
SMILES
C1CC2=C(C1)C=C(C=C2)OC3=NC(=C4C(=N3)N(C=N4)CC5=CC=C(C=C5)C6=CC=CC=C6)N[C@@H](CC7=CC=CC=C7)CO
InChI
InChI=1S/C36H33N5O2/c42-23-31(20-25-8-3-1-4-9-25)38-34-33-35(40-36(39-34)43-32-19-18-28-12-7-13-30(28)21-32)41(24-37-33)22-26-14-16-29(17-15-26)27-10-5-2-6-11-27/h1-6,8-11,14-19,21,24,31,42H,7,12-13,20,22-23H2,(H,38,39,40)/t31-/m0/s1
InChIKey
DOKZLKDGUQWMSX-HKBQPEDESA-N
Chemical Structure
2D Structure
2D structure of (S)-2-((9-([1,1'-biphenyl]-4-ylmethyl)-2-((2,3-dihydro-1H-inden-5-yl)oxy)-9H-purin-6-yl)amino)-3-phenylpropan-1-ol
CAS: 944328-88-5
CID: 42623900
Formula: C36H33N5O2
MW: 567.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight567.7
XLogP37.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass567.26342531
Monoisotopic Mass567.26342531
Topological Polar Surface Area85.1 Ų
Heavy Atom Count43
Formal Charge0
Complexity841
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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