Manumycin A - ≥96% , CAS No.52665-74-4

CAS: 52665-74-4 Cat. No.: M274901 Molecular Weight: 550.64 PubChem CID: 6438330

GRADE & PURITY ≥96%

Synonyms

DTXSID401025744 | Manumycin A | LMFA08020185 | NCGC00163464-01 | NCGC00163464-02 | Ucfi-C | 2,4-DECADIENAMIDE, N-(5-HYDROXY-5-(7-((2-HYDROXY-5-OXO-1- CYCLOPENTEN-1-YL)AMINO)-7-OXO-1,3,5-HEPTATRIENYL)-2-OXO-7- OXABICYCLO(4.1.0)HEPT-3-EN-3-YL)-2,4,6-TRIMETH

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. It is important to note that this product is reported to be light sensitive. Store In the Dark. Store under desiccating conditions.

Specifications

Synonyms

DTXSID401025744 | Manumycin A | LMFA08020185 | NCGC00163464-01 | NCGC00163464-02 | Ucfi-C | 2, 4-DECADIENAMIDE, N-(5-HYDROXY-5-(7-((2-HYDROXY-5-OXO-1- CYCLOPENTEN-1-YL)AMINO)-7-OXO-1, 3, 5-HEPTATRIENYL)-2-OXO-7- OXABICYCLO(4.1.0)HEPT-3-EN-3-YL)-2, 4, 6-TRIMETH

Specifications & Purity

≥96%

Biochemical and Physiological Mechanisms

Potent, selective, competitive cell-permeable Ras farnesyltransferase (K i = 1.2 μM) inhibitor. IκB kinase inhibitor. Antibiotic agent. Induces apoptosis. Shows antitumor effects in vivo.

Storage

Protected from light, Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

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. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥96%

Names and Identifiers

• Canonical Smiles: CCCCC(C)C=C(C)C=C(C)C(=O)NC1=CC(C2C(C1=O)O2)(C=CC=CC=CC(=O)NC3=C(CCC3=O)O)O
• IUPAC Name: (2E,4E,6R)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-trimethyldeca-2,4-dienamide
• InChIKey: TWWQHCKLTXDWBD-MVTGTTCWSA-N
• INCHI: 1S/C31H38N2O7/c1-5-6-11-19(2)16-20(3)17-21(4)30(38)32-22-18-31(39,29-28(40-29)27(22)37)15-10-8-7-9-12-25(36)33-26-23(34)13-14-24(26)35/h7-10,12,15-19,28-29,34,39H,5-6,11,13-14H2,1-4H3,(H,32,38)(H,33,36)/b8-7+,12-9+,15-10+,20-16+,21-17+/t19-,28-,29-,31+/m1/s1
• Isomeric SMILES: CCCC[C@@H](C)/C=C(\C)/C=C(\C)/C(=O)NC1=C[C@]([C@H]2[C@@H](C1=O)O2)(/C=C/C=C/C=C/C(=O)NC3=C(CCC3=O)O)O
• PubChem CID: 6438330
• Molecular Weight: 550.64

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 10 mM
• Sensitivity: light sensitive；Moisture sensitive
• Molecular Weight: 550.600 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 550.268 Da
• Monoisotopic Mass: 550.268 Da
• Topological Polar Surface Area: 145.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 1260.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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: 1