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PF-06869206

CAT: 0957-S0036-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S0036-25mgSize:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2227425-05-8
Target
Sodium Channel
Applications
Transmembrane Transporters
Smiles
CC1=C (C2=C (N1) C (=C (C (=N2) C (F) (F) F) C#N) N3CCOC (C3) CO) Cl
Molecular Formula
C15H14ClF3N4O2
Additionnal Information
PF-06869206 is a selective inhibitor of NPT2a (also referred to as NaPi2a or SLC34A1) with an IC50 of 380 nM.
Storage Conditions
3 years -20°C powder

Chemical Information

(s)-3-Chloro-7-(2-(hydroxymethyl)morpholino)-2-methyl-5-(trifluoromethyl)-1h-pyrrolo[3,2-b]pyridine-6-carbonitrile
CAS Number2227425-05-8
PubChem CID134159047
IUPAC Name3-chloro-7-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
Molecular FormulaC15H14ClF3N4O2
Molecular Weight374.74
XLogP1.9
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity543
SMILES
CC1=C(C2=C(N1)C(=C(C(=N2)C(F)(F)F)C#N)N3CCO[C@@H](C3)CO)Cl
InChI
InChI=1S/C15H14ClF3N4O2/c1-7-10(16)11-12(21-7)13(23-2-3-25-8(5-23)6-24)9(4-20)14(22-11)15(17,18)19/h8,21,24H,2-3,5-6H2,1H3/t8-/m0/s1
InChIKey
ATFQBBCQZKVZJN-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of (s)-3-Chloro-7-(2-(hydroxymethyl)morpholino)-2-methyl-5-(trifluoromethyl)-1h-pyrrolo[3,2-b]pyridine-6-carbonitrile
CAS: 2227425-05-8
CID: 134159047
Formula: C15H14ClF3N4O2
MW: 374.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.74
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass374.0757379
Monoisotopic Mass374.0757379
Topological Polar Surface Area85.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity543
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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