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MedKoo Cat#: 122525 | Name: BI-01-013

Description:

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

BI-01-013 is a PHGDH inhibitor.

Chemical Structure

BI-01-013
BI-01-013
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 122525

Name: BI-01-013

CAS#: N/A

Chemical Formula: C24H27ClN2O4S

Exact Mass: 474.1400

Molecular Weight: 475.00

Elemental Analysis: C, 60.69; H, 5.73; Cl, 7.46; N, 5.90; O, 13.47; S, 6.75

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 #
No Data
Synonym
BI-01-013; BI-01013; BI01-013
IUPAC/Chemical Name
methyl (S)-2-((4-(1-(4-chloro-1,6-dimethyl-1H-indole-2-carboxamido)-2-hydroxyethyl)phenyl)dimethylene-l6-sulfaneyl)acetate
InChi Key
IWUMTPBFGIXQBX-HXUWFJFHSA-N
InChi Code
InChI=1S/C24H27ClN2O4S/c1-15-10-19(25)18-12-22(27(2)21(18)11-15)24(30)26-20(13-28)16-6-8-17(9-7-16)32(4,5)14-23(29)31-3/h6-12,20,28H,4-5,13-14H2,1-3H3,(H,26,30)/t20-/m1/s1
SMILES Code
CC1=CC(Cl)=C2C(N(C)C(C(N[C@@H](C3=CC=C(S(CC(OC)=O)(=C)=C)C=C3)CO)=O)=C2)=C1
Appearance
To be determined
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 475.00 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
Discovery of Novel Drug-like PHGDH Inhibitors to Disrupt Serine Biosynthesis for Cancer Therapy Dingding Gao, Shuai Tang, Yixin Cen, Liang Yuan, Xiaojing Lan, Qing-Hua Li, Guo-Qiang Lin, Min Huang, and Ping Tian Journal of Medicinal Chemistry 2023 66 (1), 285-305 DOI: 10.1021/acs.jmedchem.2c01202