FPH2 (BRD-9424) - ≥98% , CAS No.957485-64-2

CAS: 957485-64-2 Cat. No.: F418549 분자식: C₁₄H₁₆ClN₅O₂S 분자량: 353.83

GRADE & PURITY ≥98%

Synonyms

BRD-9424 | FPH2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

FPH2 (BRD-9424) is a small molecule, which promotes differentiation of iPS-derived hepatocytes.

FPH2 (BRD-9424) is a small molecule promoting differentiation of iPS-derived hepatocytes.

Specifications

동의어

BRD-9424 | FPH2

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

FPH2 induces functional proliferation of hepatocytes in vitro, thereby expanding mature human primary hepatocytes.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid

528764484

정식 스마일

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=C(C=CC(=C2)Cl)OC

IUPAC Name

4-[(5-chloro-2-methoxyphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide

InChIKey

PCHRYHSDDPPZBV-UHFFFAOYSA-N

INCHI

1S/C14H16ClN5O2S/c1-3-20-7-10(12(19-20)13(16)21)18-14(23)17-9-6-8(15)4-5-11(9)22-2/h4-7H,3H2,1-2H3,(H2,16,21)(H2,17,18,23)

이성체 SMILES

CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=C(C=CC(=C2)Cl)OC

WGK 독일

3

분자량

353.83

Reaxy-Rn

29246423

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29246423&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass N-phenylthioureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: N-phenylthioureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylthioureas
• Alternative Parents: Methoxyanilines Pyrazole-5-carboxamides Phenoxy compounds 2-heteroaryl carboxamides Anisoles Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Thioureas Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-phenylthiourea - Methoxyaniline - 2-heteroaryl carboxamide - Anisole - Phenoxy compound - Phenol ether - Pyrazole-5-carboxamide - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Thiourea - Primary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea 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

화학 및 물리적 특성

• 분자량: 353.800 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 353.071 Da
• Monoisotopic Mass: 353.071 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 441.000
• 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