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MedKoo Cat#: 562923 | Name: SMU-B

Description:

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

SMU-B is a highly selective, well-tolerated, and orally efficacious c-Met/ALK dual inhibitor.

Chemical Structure

SMU-B
SMU-B
CAS#1253286-90-6

Theoretical Analysis

MedKoo Cat#: 562923

Name: SMU-B

CAS#: 1253286-90-6

Chemical Formula: C26H25Cl2FN4O2

Exact Mass: 514.1339

Molecular Weight: 515.41

Elemental Analysis: C, 60.59; H, 4.89; Cl, 13.76; F, 3.69; N, 10.87; O, 6.21

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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Related CAS #
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Synonym
SMU-B; SMU B; SMUB;
IUPAC/Chemical Name
6-[6-Amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridyl]-1'-methyl-spiro[3H-indoline-3,4'-piperidin]-2(1H)-one
InChi Key
PIRWRQQYRXWTII-CQSZACIVSA-N
InChi Code
InChI=1S/C26H25Cl2FN4O2/c1-14(22-18(27)5-6-19(29)23(22)28)35-21-12-16(13-31-24(21)30)15-3-4-17-20(11-15)32-25(34)26(17)7-9-33(2)10-8-26/h3-6,11-14H,7-10H2,1-2H3,(H2,30,31)(H,32,34)/t14-/m1/s1
SMILES Code
O=C1NC2=C(C=CC(C3=CC(O[C@@H](C4=C(Cl)C=CC(F)=C4Cl)C)=C(N)N=C3)=C2)C15CCN(C)CC5
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

Preparing Stock Solutions

The following data is based on the product molecular weight 515.41 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: Tian Y, Yu Y, Shen Y, Wan H, Chang S, Zhang T, Wan S, Zhang J. Molecular Simulation Studies on the Binding Selectivity of Type-I Inhibitors in the Complexes with ROS1 versus ALK. J Chem Inf Model. 2017 Apr 24;57(4):977-987. doi: 10.1021/acs.jcim.7b00019. Epub 2017 Mar 29. PubMed PMID: 28318251. 2: Li J, Wu N, Tian Y, Zhang J, Wu S. Aminopyridyl/Pyrazinyl Spiro[indoline-3,4'-piperidine]-2-ones As Highly Selective and Efficacious c-Met/ALK Inhibitors. ACS Med Chem Lett. 2013 Jul 12;4(8):806-10. doi: 10.1021/ml400203d. eCollection 2013 Aug 8. PubMed PMID: 24900750; PubMed Central PMCID: PMC4027565.