WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H407470
CAS#: 1884321-89-4
Description: KRCA-0713 is a ALK inhibitor.
Hodoodo Cat#: H407470
Name: KRCA-0713
CAS#: 1884321-89-4
Chemical Formula: C26H32ClN5O3S
Exact Mass: 529.19
Molecular Weight: 530.084
Elemental Analysis: C, 58.91; H, 6.09; Cl, 6.69; N, 13.21; O, 9.05; S, 6.05
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Synonym: KRCA-0713; KRCA 0713; KRCA0713.
IUPAC/Chemical Name: N2-(6-amino-3-methoxy-5,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-5-chloro-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine
InChi Key: WMLFTPJTSQTLNL-UHFFFAOYSA-N
InChi Code: InChI=1S/C26H32ClN5O3S/c1-15(2)36(33,34)22-9-7-6-8-19(22)30-24-18(27)14-29-25(32-24)31-20-12-16-10-11-23(28)26(3,4)17(16)13-21(20)35-5/h6-9,12-15,23H,10-11,28H2,1-5H3,(H2,29,30,31,32)
SMILES Code: ClC1=CN=C(N=C1NC2=CC=CC=C2S(C(C)C)(=O)=O)NC3=C(C=C4C(C)(C)C(N)CCC4=C3)OC
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: >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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 530.08 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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
1: Achary R, Mathi GR, Lee DH, Yun CS, Lee CO, Kim HR, Park CH, Kim P, Hwang JY.
Novel 2,4-diaminopyrimidines bearing fused tricyclic ring moiety for anaplastic
lymphoma kinase (ALK) inhibitor. Bioorg Med Chem Lett. 2017 May
15;27(10):2185-2191. doi: 10.1016/j.bmcl.2017.03.073. Epub 2017 Mar 29. PubMed
PMID: 28385505.