SANT-2 - モリガンド™, ≥95 , Antagonist of SMO, CAS No.329196-48-7, Antagonist of SMO

CAS: 329196-48-7 Cat. No.: S275667 分子式: C₂₆H₂₆ClN₃O₄ 分子量: 479.96 PubChem CID: 1367095

グレード＆純度 Moligand™, ≥95%

Synonyms

GTPL10331 | J-018936 | HY-107408 | SR-01000419345 | NCGC00263210-04 | BDBM50249489 | HMS3414C13 | NCGC00263210-06 | SR-01000419345-1 | HMS3678C13 | N-(3-(1H-Benzimidazol-2-yl)-4-chlorophenyl)-3,4,5-triethoxybenzamide | N-(3-(1H-benzo[d]imidazol-2-yl)-4-ch

Storage

遮光,-20℃保存,アルゴン充填,乾燥保存

Shipped In

アイスチェスト＋アイスパッド

仕様

同義語

GTPL10331 | J-018936 | HY-107408 | SR-01000419345 | NCGC00263210-04 | BDBM50249489 | HMS3414C13 | NCGC00263210-06 | SR-01000419345-1 | HMS3678C13 | N-(3-(1H-Benzimidazol-2-yl)-4-chlorophenyl)-3,4,5-triethoxybenzamide | N-(3-(1H-benzo[d]imidazol-2-yl)-4-ch

仕様と純度

モリガンド™, ≥95

生化学的・生理学的メカニズム

強力な平滑化受容体拮抗薬。SANT-1に類似したアロステリック調節。Smo-[ 3 H]SAG-1.3および[ 3 H]シクロパミン結合を置換することができる（K i値はそれぞれ7.8および8.4 nM）。

保管条件

遮光,-20℃保存,アルゴン充填,乾燥保存

入荷

アイスチェスト＋アイスパッド

等級

Moligand™

アクションタイプ

ANTAGONIST

作用メカニズム

Antagonist of SMO

注

可能な限り、溶液はその日のうちに調製し、使用すること。ただし、事前にストック溶液を調製する必要がある場合は、密栓したバイアルに分注した溶液を-20℃で保存することをお勧めします。通常、これらは1ヶ月間使用可能です。使用前、バイアルを開封する前に、製品を少なくとも1時間室温に平衡化させることをお勧めします。溶解性、使用方法、取り扱いについて、さらに詳しいアドバイスが必要ですか？詳しくは、よくある質問（FAQ）のページをご覧ください。

純度

≥95%

名前と識別子

パブケム・シド

504760472

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504760472

カノニカル・スマイル

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4N3

IUPAC Name

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-triethoxybenzamide

InChIKey

VQOJFGFKIVFMDH-UHFFFAOYSA-N

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)

異性体SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4N3

代替CAS番号

329196-48-7

PubChem CID

1367095

分子量

479.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: Benzanilides Phenylimidazoles Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzanilide - Phenylbenzimidazole - Aromatic anilide - 2-phenylimidazole - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（人間）

SMO Tclin Smoothened homolog (1 Activities)

Discover Target: SMO

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Shh Sonic hedgehog protein (356 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Oryzias latipes (115 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in DMSO to 100 mM and in ethanol to 100 mM
• 感度: Air sensitive,Light sensitive,Heat sensitive
• 分子量: 480.000 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 479.161 Da
• Monoisotopic Mass: 479.161 Da
• Topological Polar Surface Area: 85.500 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 640.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1