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Key Documents

PZ0151

Sigma-Aldrich

PF-956980 hydrate

≥98% (HPLC)

Synonym(s):

{(3R,4R)-4-Methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino]-piperidin-1-yl}-pyrrolidin-1-yl-methanone hydrate

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About This Item

Empirical Formula (Hill Notation):
C18H26N6O · xH2O
CAS Number:
Molecular Weight:
342.44 (anhydrous basis)
MDL number:
UNSPSC Code:
51111800
PubChem Substance ID:
NACRES:
NA.77

assay

≥98% (HPLC)

form

powder

optical activity

[α]/D +33 to +40°, c = 0.5 in methanol

color

white to off-white

solubility

DMSO: ≥50 mg/mL

storage temp.

2-8°C

SMILES string

O.C[C@@H]1CCN(C[C@@H]1N(C)c2ncnc3[nH]ccc23)C(=O)N4CCCC4

InChI

1S/C18H26N6O.H2O/c1-13-6-10-24(18(25)23-8-3-4-9-23)11-15(13)22(2)17-14-5-7-19-16(14)20-12-21-17;/h5,7,12-13,15H,3-4,6,8-11H2,1-2H3,(H,19,20,21);1H2/t13-,15+;/m1./s1

InChI key

VZUKSTKLTSSYKP-PBCQUBLHSA-N

Biochem/physiol Actions

PF-956980 is a FGF1 receptor antagonist; PDGF receptor modulator; Flt3 tyrosine kinase modulator; and VEGF antagonist.

Features and Benefits

This compound is featured on the PDGFR page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.

pictograms

Skull and crossbones

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable


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    Peter Jones et al.
    Journal of medicinal chemistry, 60(2), 767-786 (2016-12-17)
    By use of a structure-based computational method for identification of structurally novel Janus kinase (JAK) inhibitors predicted to bind beyond the ATP binding site, a potent series of indazoles was identified as selective pan-JAK inhibitors with a type 1.5 binding

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