MedKoo Cat#: 466075 | Name: SPH5030

Description:

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

SPH5030 is a Selective, Potent, and Irreversible Tyrosine Kinase Inhibitor (IC50 < 1 nM) for HER2-Amplified and HER2-Mutant Cancer Treatment. SPH5030 showed excellent activities against four frequent kinds of HER2 mutants and high relative HER2 selectivity compared with neratinib and pyrotinib, good pharmacokinetic characteristics with desirable bioavailabilities, and significant in vivo antitumor efficacy in xenograft mouse models, especially in a HER2 mutation A775_G776insYVMA xenograft mouse model with its potency much higher than those of neratinib and pyrotinib.

Chemical Structure

SPH5030
SPH5030
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 466075

Name: SPH5030

CAS#: unknown

Chemical Formula: C31H31FN8O3

Exact Mass: 582.2503

Molecular Weight: 582.64

Elemental Analysis: C, 63.91; H, 5.36; F, 3.26; N, 19.23; O, 8.24

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.
Bulk Inquiry
Related CAS #
No Data
Synonym
SPH5030; SPH 5030; SPH-5030;
IUPAC/Chemical Name
(R,Z)-N-(4-((4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-methylphenyl)amino)-7-ethoxyquinazolin-6-yl)-2-fluoro-3-(1-methylpyrrolidin-2-yl)acrylamide
InChi Key
HTAMCULFUCGZAM-FKYOTISTSA-N
InChi Code
InChI=1S/C31H31FN8O3/c1-4-42-28-16-25-23(15-26(28)38-31(41)24(32)13-21-6-5-10-39(21)3)30(35-17-33-25)37-20-7-8-27(19(2)12-20)43-22-9-11-40-29(14-22)34-18-36-40/h7-9,11-18,21H,4-6,10H2,1-3H3,(H,38,41)(H,33,35,37)/b24-13-/t21-/m1/s1
SMILES Code
O=C(NC1=CC2=C(NC3=CC=C(OC4=CC5=NC=NN5C=C4)C(C)=C3)N=CN=C2C=C1OCC)/C(F)=C/[C@@H]6N(C)CCC6
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 582.64 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: Li D, Tu Y, Jin K, Duan L, Hong Y, Xu J, Chen N, Zhang Z, Zuo H, Gong W, Zhang J, Wang Q, Qian H, Wang X, Ke Y, Xia G. Discovery of SPH5030, a Selective, Potent, and Irreversible Tyrosine Kinase Inhibitor for HER2-Amplified and HER2-Mutant Cancer Treatment. J Med Chem. 2022 Mar 23. doi: 10.1021/acs.jmedchem.1c00710. Epub ahead of print. PMID: 35319895.