Rhynchophylline - 10mM in DMSO , CAS No.76-66-4

CAS: 76-66-4 Cat. No.: R425883 分子式: C₂₂H₂₈N₂O₄ 分子量: 384.47 EC番号: 683-092-0

GRADE & PURITY 10mM in DMSO

Synonyms

DTXSID70878612 | CCG-268460 | Rhynchophylline | RHYNCHOPHYLLINE (CONSTITUENT OF CAT'S CLAW) [DSC] | Rhynocophylline | C09236 | SCHEMBL2047380 | NSC-21731 | R0105 | CHEBI:70069 | NSC 21731 | Q7321711 | CORYNOXAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-17-METHO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

DTXSID70878612 | CCG-268460 | Rhynchophylline | RHYNCHOPHYLLINE (CONSTITUENT OF CAT'S CLAW) [DSC] | Rhynocophylline | C09236 | SCHEMBL2047380 | NSC-21731 | R0105 | CHEBI:70069 | NSC 21731 | Q7321711 | CORYNOXAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-17-METHO

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

Ca 2+ channel blocker. Non-competitive NMDA antagonist (IC 50 = 43.2 μM). Inhibits glutamate-induced neuronal death. Inhibits dopamine-induced apoptosis. Reduces endothelin-induced cerebral arteriole contraction.

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

名前と識別子

• パブケム・シド: 528776116
• カノニカル・スマイル: CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O
• IUPAC Name: methyl (E)-2-[(3R,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
• InChIKey: DAXYUDFNWXHGBE-KAXDATADSA-N
• INCHI: 1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22+/m0/s1
• 異性体SMILES: CC[C@H]1CN2CC[C@]3([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O
• 分子量: 384.47
• Reaxy-Rn: 902463
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=902463&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Indolizidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Indolizidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolizidines
• Alternative Parents: Indolines Aralkylamines Piperidines N-alkylpyrrolidines Benzenoids Vinylogous esters Methyl esters Enoate esters Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactams Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Dihydroindole - Indolizidine - Aralkylamine - Piperidine - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organonitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as indolizidines. These are polycyclic compounds containing an indolizidine, which is a bicyclic heterocycle containing a saturated six-member ring fused to a saturated five-member ring, one of the bridging atoms being nitrogen.
• External Descriptors: indolizines

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

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ACE Tclin Angiotensin-converting enzyme (1423 Activities)

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KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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KCNA2 Tclin Voltage-gated potassium channel subunit Kv1.2 (28 Activities)

Discover Target: KCNA2

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HL-60 (67320 Activities)

Explore this target

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SW480 (6023 Activities)

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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 216°C
• 分子量: 384.500 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 384.205 Da
• Monoisotopic Mass: 384.205 Da
• Topological Polar Surface Area: 67.900 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 663.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1