WARNING: This product is for research use only, not for human or veterinary use.
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.
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
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 Key: BKDGDNUWAYNWBA-UHFFFAOYSA-N
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
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.
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: 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