MedKoo Cat#: 407258 | Name: CHMFL-ABL-053

Description:

WARNING: This product is for research use only, not for human or veterinary use.

CHMFL-ABL-053 is a potent, selective and orally available BCR-ABL/SRC/p38 kinase inhibitor for Chronic Myeloid Leukemia. Through significant suppression of the BCR-ABL auto-phosphorylation (EC50 about 100 nM) and downstream mediators such as STAT5, Crkl and ERK's phosphorylation, CHMFL-ABL-053 inhibited the proliferation of CML cell lines K562 (GI50 = 14 nM), KU812 (GI50 = 25 nM) and MEG-01 (GI50 = 16 nM).

Chemical Structure

CHMFL-ABL-053
CHMFL-ABL-053
CAS# 1808287-83-3

Theoretical Analysis

MedKoo Cat#: 407258

Name: CHMFL-ABL-053

CAS#: 1808287-83-3

Chemical Formula: C28H26F3N7O2

Exact Mass: 549.2100

Molecular Weight: 549.56

Elemental Analysis: C, 61.20; H, 4.77; F, 10.37; N, 17.84; O, 5.82

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Synonym
CHMFL-ABL-053; CHMFL-ABL053; CHMFL-ABL 053.
IUPAC/Chemical Name
2‑((3-Amino-4-methylphenyl)amino)‑N‑(2-methyl-5-(3-(trifluoromethyl)benzamido)phenyl)-4-(methylamino)pyrimidine-5-carboxamide
InChi Key
GXMFPDCIAWSZFR-UHFFFAOYSA-N
InChi Code
InChI=1S/C28H26F3N7O2/c1-15-7-9-19(12-22(15)32)36-27-34-14-21(24(33-3)38-27)26(40)37-23-13-20(10-8-16(23)2)35-25(39)17-5-4-6-18(11-17)28(29,30)31/h4-14H,32H2,1-3H3,(H,35,39)(H,37,40)(H2,33,34,36,38)
SMILES Code
O=C(C1=CN=C(NC2=CC=C(C)C(N)=C2)N=C1NC)NC3=CC(NC(C4=CC=CC(C(F)(F)F)=C4)=O)=CC=C3C
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO, not in water
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 549.56 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Liang X, Liu X, Wang B, Zou F, Wang A, Qi S, Chen C, Zhao Z, Wang W, Qi Z, Lv F, Hu Z, Wang L, Zhang S, Liu Q, Liu J. Discovery of 2-((3-amino-4-methylphenyl)amino)-N-(2-methyl-5-(3-(trifluoromethyl)benzamido)phe nyl)-4-(methylamino)pyrimidine-5-carboxamide (CHMFL-ABL-053) as a potent, selective and orally available BCR-ABL/SRC/p38 kinase inhibitor for Chronic Myeloid Leukemia. J Med Chem. 2016 Jan 20. [Epub ahead of print] PubMed PMID: 26789553.