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Merck
CN

PZ0151

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:
1262750-62-8
Molecular Weight:
342.44 (anhydrous basis)
NACRES:
NA.77
PubChem Substance ID:
329823736
UNSPSC Code:
51111800
MDL number:
MFCD18452852

Key Documents

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InChI key

VZUKSTKLTSSYKP-PBCQUBLHSA-N

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

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

Quality Level

100

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
GHS06

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

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
090M4716

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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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