Description
BCAT-IN-1 is a potent, selective and orally active inhibitor of BCATm, with a pIC50 of 7.3. BCAT-IN-1 shows 100-fold selectivity for BCATm over BCATc (pIC50=5.4). BCAT-IN-1 can be used for the research of metabolic diseases.
Product information
CAS Number: 2581243-32-3
Molecular Weight: 538.46
Formula: C25H24BrN5O2S
Chemical Name: 1-[3-(5-bromothiophene-2-amido)cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1, 3-benzodiazole-5-carboxamide
Smiles: CNC(=O)C1C=C2N=C(C3=CC=CC=N3)N(C3CCCC(C3)NC(=O)C3=CC=C(Br)S3)C2=CC=1
InChiKey: PGSKODUPOMCUEJ-UHFFFAOYSA-N
InChi: InChI=1S/C25H24BrN5O2S/c1-27-24(32)15-8-9-20-19(13-15)30-23(18-7-2-3-12-28-18)31(20)17-6-4-5-16(14-17)29-25(33)21-10-11-22(26)34-21/h2-3,7-13,16-17H,4-6,14H2,1H3,(H,27,32)(H,29,33)
Technical Data
Appearance: Solid Power
Purity: ≥98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.
Shelf Life: ≥12 months if stored properly.
Stock Solution Storage: 0 - 4 oC for 1 month or refer to the Certificate of Analysis.
Drug Formulation: To be determined
HS Tariff Code: 382200
How to use
In Vitro:
BCAT-IN-1 (compound 8b) inhibits BCATm in human cells, with a pIC50 of 7.0. BCAT-IN-1 inhibits mouse BCATm, with pIC50 of 5.9 in the cellular assay.
In Vivo:
BCAT-IN-1 (compound 8b) (30-300 mg/kg; p.o.) increases the level of c BCAAs in an acute mouse model over an extended duration. BCAT-IN-1 (5 mg/kg; p.o.) exhibits oral bioavailability (F=28%) and Cmax (1648 ng/mL) in mice. BCAT-IN-1 (1 mg/kg; i.v.) exhibits half-life (t1/2=9.2 h) and clearance (Cl=4.0 mL/min/kg) in mice.
Products are for research use only. Not for human use.
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