seco Rapamycin Sodium Salt - ≥80% , CAS No.148554-65-8

CAS: 148554-65-8 Cat. No.: S329260 Peso molecular: 936.15 PubChem CID: 71772273

GRADE & PURITY ≥80%

Synonyms

[2R-[2α,2(S*),3α,6β[2S*,3E,5E,7E,9S*,11R*,13R*,14R*,15E,17R*,19E/Z,21R*,22(1S*,3R*,4R*)]]]-1-[Oxo[tetrahydro-2-hydroxy-6-[14-hydroxy-22-(4-hydroxy-3-methoxycyclohexyl)-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxo-3,5,7,15,19-docosapentaenyl]-3-me

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

seco Rapamycin Sodium Salt is a decomposition product of Rapamycin which can function as an antifungal agent. seco Rapamycin Sodium Salt is the open ring conformation of Rapamycin. Studies suggest that seco Rapamycin Sodium Salt is impermeable to the apical membrane in Caco-2 cells. It has also been observed that seco Rapamycin Sodium Salt can be secreted across the apical membrane, which can be inhibited by the P-gp inhibitor, LY335979. In contrast, Rapamycin is cell permeable and can functions as a CYP3A4/P-gp substrate.

Specifications

Sinónimos

[2R-[2α, 2(S*), 3α, 6β[2S*, 3E, 5E, 7E, 9S*, 11R*, 13R*, 14R*, 15E, 17R*, 19E/Z, 21R*, 22(1S*, 3R*, 4R*)]]]-1-[Oxo[tetrahydro-2-hydroxy-6-[14-hydroxy-22-(4-hydroxy-3-methoxycyclohexyl)-2, 13-dimethoxy-3, 9, 11, 15, 17, 21-hexamethyl-12, 18-dioxo-3, 5, 7, 15, 19-docosapentaenyl]-3-me

Especificaciones y pureza

≥80%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥80%

Nombres e identificadores

• Sonrisas canónicas: CC1CCC(OC1(C(=O)C(=O)N2CCCCC2C(=O)[O-])O)CC(C(=CC=CC=CC(C)CC(C)C(=O)C(C(C(=CC(C)C(=O)C=CC(C)CC3CCC(C(C3)OC)O)C)O)OC)C)OC.[Na+]
• IUPAC Name: sodium;(2S)-1-[2-[(2R,3R,6S)-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaenyl]-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate
• InChIKey: DNMSBJYMPJMFNS-OWGFPTNRSA-M
• INCHI: 1S/C51H79NO13.Na/c1-31(26-35(5)45(55)47(64-10)46(56)36(6)28-34(4)41(53)23-19-32(2)27-38-21-24-42(54)44(29-38)63-9)16-12-11-13-17-33(3)43(62-8)30-39-22-20-37(7)51(61,65-39)48(57)49(58)52-25-15-14-18-40(52)50(59)60;/h11-13,16-17,19,23,28,31-32,34-35,37-40,42-44,46-47,54,56,61H,14-15,18,20-22,24-27,29-30H2,1-10H3,(H,59,60);/q;+1/p-1/b13-11+,16-12+,23-19+,33-17+,36-28+;/t31-,32+,34-,35-,37-,38+,39+,40+,42-,43+,44-,46-,47+,51-;/m1./s1
• Isómeros SMILES: C[C@@H]1CC[C@H](O[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)[O-])O)C[C@@H](/C(=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(=O)[C@@H]([C@@H](/C(=C/[C@@H](C)C(=O)/C=C/[C@H](C)C[C@@H]3CC[C@H]([C@@H](C3)OC)O)/C)O)OC)/C)OC.[Na+]
• PubChem CID: 71772273
• Peso molecular: 936.15

Propiedades químicas y físicas

• Solubilidad: Solubility: Soluble in Methanol and Water
• Punto de fusión (°C): 120-122° C
• Peso molecular: 936.200 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 24
• Exact Mass: 935.537 Da
• Monoisotopic Mass: 935.537 Da
• Topological Polar Surface Area: 209.000 Ų
• Heavy Atom Count: 66
• Formal Charge: 0
• Complexity: 1760.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 14
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 5
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 5
• Covalently-Bonded Unit Count: 2

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