ACT-678689 - ≥98% , CAS No.1783256-96-1

CAS: 1783256-96-1 Cat. No.: A413429 分子式: C₂₃H₂₂ClFN₆O₄S₂ 分子量: 565.04

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

ACT-678689 (Compound Example 1.53.4) is an inhibitor of tryptophan hydroxylase (TPH) with IC50 of 8 nM.

Specifications

仕様と純度

≥98%

生化学的・生理学的メカニズム

ACT-678689 (Compound Example 1.53.4) is an inhibitor of tryptophan hydroxylase (TPH) with IC50 of 8 nM.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

• パブケム・シド: 528763023
• カノニカル・スマイル: CC1=CC(=C(C=C1)C2C3=C(CCN2C(=O)COC4=C(N=C(C=C4)NS(=O)(=O)C)Cl)N=C5N3N=C(S5)C)F
• IUPAC Name: N-[6-chloro-5-[2-[(12S)-12-(2-fluoro-4-methylphenyl)-4-methyl-5-thia-2,3,7,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,6-trien-11-yl]-2-oxoethoxy]pyridin-2-yl]methanesulfonamide
• InChIKey: XGWSHBGTWKYXMM-FQEVSTJZSA-N
• INCHI: 1S/C23H22ClFN6O4S2/c1-12-4-5-14(15(25)10-12)20-21-16(26-23-31(21)28-13(2)36-23)8-9-30(20)19(32)11-35-17-6-7-18(27-22(17)24)29-37(3,33)34/h4-7,10,20H,8-9,11H2,1-3H3,(H,27,29)/t20-/m0/s1
• 分子量: 565.04
• Reaxy-Rn: 28257692
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28257692&ln=

化学的性質と物理的性質

• 分子量: 565.000 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 564.082 Da
• Monoisotopic Mass: 564.082 Da
• Topological Polar Surface Area: 155.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 947.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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