NKH 477 (Colforsin daropate) - ≥98% , CAS No.138605-00-2

CAS: 138605-00-2 Cat. No.: N274677 Peso molecular: 546.1 Número EC: 689-002-6 PubChem CID: 444028

GRADE & PURITY ≥98%

Synonyms

NKH 477, >=98% (HPLC), powder | 5-(Acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-naphtho[2,1-b]pyran-6-yl N,N-dimethyl-beta-alaninate--hydrogen chloride (1/1) | Q5144763 | SR-01000597810 | D01697 | C6P4R272GT | UNII-C6

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

NKH 477, >=98% (HPLC), powder | 5-(Acetyloxy)-3-ethenyl-10, 10b-dihydroxy-3, 4a, 7, 7, 10a-pentamethyl-1-oxododecahydro-1H-naphtho[2, 1-b]pyran-6-yl N, N-dimethyl-beta-alaninate--hydrogen chloride (1/1) | Q5144763 | SR-01000597810 | D01697 | C6P4R272GT | UNII-C6

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Water-soluble adenylyl cyclase activator

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ACTIVATOR

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)OC(=O)CCN(C)C.Cl
• IUPAC Name: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-(dimethylamino)propanoate;hydrochloride
• InChIKey: VIRRLEDAYYYTOD-YHEOSNBFSA-N
• INCHI: 1S/C27H43NO8.ClH/c1-10-24(5)15-18(31)27(33)25(6)17(30)11-13-23(3,4)21(25)20(35-19(32)12-14-28(8)9)22(34-16(2)29)26(27,7)36-24;/h10,17,20-22,30,33H,1,11-15H2,2-9H3;1H/t17-,20-,21-,22-,24-,25-,26+,27-;/m0./s1
• Isómeros SMILES: CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)OC(=O)CCN(C)C.Cl
• PubChem CID: 444028
• Peso molecular: 546.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Naphthopyrans Naphthalenes Dicarboxylic acids and derivatives Oxanes Pyrans Tertiary alcohols Trialkylamines Ketones Amino acids and derivatives Carboxylic acid esters Cyclic alcohols and derivatives Secondary alcohols Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpenoid - Naphthopyran - Naphthalene - Dicarboxylic acid or derivatives - Oxane - Pyran - Cyclic alcohol - Tertiary alcohol - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Secondary alcohol - Ketone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Hydrochloride - Alcohol - Amine - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water, ethanol, DMSO
• Peso molecular: 546.100 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 545.276 Da
• Monoisotopic Mass: 545.276 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 933.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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: 2

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