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Basic information
- CAS
909910-43-6- Standard SMILES
Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1- InChIKey
HIJMSZGHKQPPJS-UHFFFAOYSA-N- Molecular formula
- C25H19N5S
- Average molar mass
- 421.529 g/mol
- Monoisotopic mass
- 421.13611661
Names & identifiers
- Preferred name
- 3-(6-Methylpyridin-2-yl)-N-phenyl-4-(quinolin-4-yl)-1H-pyrazole-1-carbothioamide
- IUPAC
- 3-(6-Methylpyridin-2-yl)-N-phenyl-4-(quinolin-4-yl)-1H-pyrazole-1-carbothioamide
- English name
- A-83-01
- Molecular formula
- C25H19N5S
- Molecular weight
- 421.52
Names & synonyms
CS-578A 83-01, >=98%A 83-01A83-01A-83-01 ，S7692CAS:909910-43-6A-83-01AB142092)ALK5 Inhibitor IVTGF inhibitor A-83-01A 83-01 (DMSO solutionTGF-β RI Kinase Inhibitor IV
Database identifiers
- CAS
909910-43-6- PubChem CID
- 16218924
- DTXSID
DTXSID60585065- ChEMBL
CHEMBL1170377- ChEBI
CHEBI:233322- UNII
- X3ZNM7QJ2Q
- EC Number
- 635-614-3
- Nikkaji
- J2.257.272E
Properties
Physicochemical properties
- Melting point
- 111 ℃ · 111℃
- Boiling point
- 590 · 590.0±60.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 5 mg/mL, · DMSO: soluble5mg/mL, clear (warmed)
- form
- powder
- pka
- 8.77 · 8.77±0.70(Predicted)
- color
- white to beige
- Stability
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 2 months.
- InChI
- InChI=1S/C25H19N5S/c1-17-8-7-13-23(27-17)24-21(19-14-15-26-22-12-6-5-11-20(19)22)16-30(29-24)25(31)28-18-9-3-2-4-10-18/h2-16H,1H3,(H,28,31)
- InChIKey
- HIJMSZGHKQPPJS-UHFFFAOYSA-N
- SMILES
- N1(C(NC2=CC=CC=C2)=S)C=C(C2C3C(N=CC=2)=CC=CC=3)C(C2=NC(C)=CC=C2)=N1
- FDA UNII
- 3 ZNM7QJ2Q · X3ZNM7QJ2Q
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P301+P312+P330-P305+P351+P338-P337+P313
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P301+P312+P330-P305+P351+P338-P337+P313
Chemistry & industry
Applications
DescriptionA 83-01 (909910-43-6) is a potent and selective ALK4, 5 and 7 inhibitor.1,2IC50 = 45, 12 and 7.5 nM respectively. Prevents phosphorylation of Smad2/3 and growth inhibition induced by TGFβ.2Inhibits differentiation of rat induced pluripotent stem cells and increases clonal expansion efficiency.3Together with AMI-5, A83-01 enabled Oct4-induced reprogramming of mouse embryonic fibroblasts.4Cell permeable. Active in vivo.
UsesA 83-01 is a selective inhibitor of TGF-β type I receptor. A 83-01 treatment increases tumor permeability.
UsesA 83-01 has been used as an inhibitor of transforming growth factor β kinase type 1 receptor.
Suppliers100 total
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏星科元信息科技有限公司
Related reactions
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Compound notes
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