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Basic information
- CAS
329196-48-7- Standard SMILES
CCOc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc(OCC)c1OCC- InChIKey
VQOJFGFKIVFMDH-UHFFFAOYSA-N- Molecular formula
- C26H26ClN3O4
- Average molar mass
- 479.964 g/mol
- Monoisotopic mass
- 479.16118399
Names & identifiers
- Preferred name
- SANT-2
- IUPAC
- N-[3-(1H-Benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-triethoxybenzamide
- English name
- N-[3-(1H-Benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-triethoxybenzamide
- Molecular formula
- C26H26ClN3O4
- Molecular weight
- 479.96
Names & synonyms
SANT-2Hh Signaling Antagonist XIV, SANT-2Hh Signaling Antagonist XIV, SANT-2 - CAS 329196-48-7 - CalbiochemN-[3-(1H-Benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-triethoxybenzamideN-(3-(1H-Benzo[d]imidazol-2-yl)-4-chlorophenyl)-3,4,5-triethoxybenzamideBenzamide, N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-triethoxy-
Database identifiers
- CAS
329196-48-7- PubChem CID
- 1367095
- DTXSID
DTXSID40362255- ChEMBL
CHEMBL514344
Properties
Physicochemical properties
- Melting point
- 210 · 210-211℃
- Density
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 20 mg/mL, · DMSO: soluble20mg/mL, clear
- form
- White powder
- pka
- 10.95 · 10.95±0.10(Predicted)
- color
- white to beige
- InChI
- 1S/C26H26ClN3O4/c1-4-32-22-13-16(14-23(33-5-2)24(22)34-6-3)26(31)28-17-11-12-19(27)18(15-17)25-29-20-9-7-8-10-21(20)30-25/h7-15H,4-6H2,1-3H3,(H,28,31)(H,29,30)
- InChIKey
- VQOJFGFKIVFMDH-UHFFFAOYSA-N
- SMILES
- Clc1c(cc(cc1)NC(=O)c4cc(c(c(c4)OCC)OCC)OCC)c2[nH]c3c(n2)cccc3
- UNSPSC Code
- 51111800 · 51111800
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesSANT-2 is an inhibitor of Smo (Hedgehog signaling pathway) and SAG.
General DescriptionA nanomolar Smoothened (smo) antagonist that exhibits 2.3- and 6-fold weaker biological activity than SANT-1 (Cat. No. 559303), respectively, in antagonizing ShhNp- and SAG-stimulated hedgehog pathway activation in HEK 293-based (Shh-LIGHT2) reporter assays. Competitive binding studies show full replacement of Smo-bound cyclopamine (Cat. No. 239803) by SANT-1 and SANT-2 (Ki = 2.4 and 8.4 nM, respectively), while SANT-1 and SANT-2 are shown to compete against Smo-bound SAG-1.3 (Cat. Nos. 566660 & 566661) in an allosteric manner and that only SANT-2, but not SANT-1, is able to completely compete off bound SAG-1.3 (100% vs. 40% replacement by the respective compound at 10 μM).
Suppliers22 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Related reactions
0 records
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Compound notes
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