Dasatinib carbaldehyde

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MedKoo CAT#: 462329

CAS#: 2112837-79-1 (cabaldehyde)

Description: Dasatinib carbaldehyde is a dasatinib derivative, which binds to IAP ligand via a linker to form SNIPER.

Chemical Structure

Dasatinib carbaldehyde
CAS# 2112837-79-1 (cabaldehyde)

Theoretical Analysis

MedKoo Cat#: 462329
Name: Dasatinib carbaldehyde
CAS#: 2112837-79-1 (cabaldehyde)
Chemical Formula: C21H22ClN7O2S
Exact Mass: 471.1244
Molecular Weight: 471.964
Elemental Analysis: C, 53.44; H, 4.70; Cl, 7.51; N, 20.77; O, 6.78; S, 6.79

Price and Availability

Size Price Availability Quantity
50.0mg USD 1950.0 2 Weeks
100.0mg USD 3510.0 2 Weeks
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Related CAS #: 863127-77-9 (hydrate)   302962-49-8 (free)   2112837-79-1 (cabaldehyde)   910297-52-8 (N-oxide)    

Synonym: Dasatinib carbaldehyde; BMS-354825 carbaldehyde; BMS354825 carbaldehyde; BMS 354825 carbaldehyde; PROTAC ABL binding moiety 4

IUPAC/Chemical Name: N-(2-chloro-6-methylphenyl)-2-((6-(4-formylpiperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide


InChi Code: InChI=1S/C21H22ClN7O2S/c1-13-4-3-5-15(22)19(13)27-20(31)16-11-23-21(32-16)26-17-10-18(25-14(2)24-17)29-8-6-28(12-30)7-9-29/h3-5,10-12H,6-9H2,1-2H3,(H,27,31)(H,23,24,25,26)

SMILES Code: CC1=C(NC(C2=CN=C(NC3=CC(N4CCN(C=O)CC4)=NC(C)=N3)S2)=O)C(Cl)=CC=C1

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

Shelf Life: >3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 471.964 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

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1: Shibata N, Miyamoto N, Nagai K, et al. Development of protein degradation inducers of oncogenic BCR-ABL protein by conjugation of ABL kinase inhibitors and IAP ligands. Cancer Sci. 2017;108(8):1657-1666. doi:10.1111/cas.13284