Name: Name:Gandotinib
Brand: Angene
SKU: AG000JSD
Rating: 90 (10 reviews)

Gandotinib

CAS No.:

1229236-86-5

Catalog Number:

AG000JSD

Molecular Formula:

C23H25ClFN7O

Molecular Weight:

469.9423

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

≥98%

1 week

United States

$125

- +

5mg

≥98%

1 week

United States

$210

- +

10mg

≥98%

1 week

United States

$329

- +

25mg

≥98%

1 week

United States

$653

- +

Product Description

Catalog Number:

AG000JSD

Chemical Name:

Gandotinib

CAS Number:

1229236-86-5

Molecular Formula:

C23H25ClFN7O

Molecular Weight:

469.9423

MDL Number:

MFCD20482143

IUPAC Name:

3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

InChI:

InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)

InChI Key:

SQSZANZGUXWJEA-UHFFFAOYSA-N

SMILES:

Clc1ccc(c(c1)F)Cc1c(C)nc2n1nc(Nc1n[nH]c(c1)C)cc2CN1CCOCC1

UNII:

ANC71R916O

Properties

Complexity:

644

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

469.179g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

469.949g/mol

Monoisotopic Mass:

469.179g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8

Literature

Title	Journal
Differences in gene expression and alterations in cell cycle of acute myeloid leukemia cell lines after treatment with JAK inhibitors.	European journal of pharmacology 20151015
Discovery and characterization of LY2784544, a small-molecule tyrosine kinase inhibitor of JAK2V617F.	Blood cancer journal 20130401

Properties