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83314-01-6

83314-01-6 structural image
Product Name: BRYOSTATIN 1
Formula: C47H68O17
Synonyms: Bryo 1, PKC Activator VII, PKC Activator VI;Bryostatin 1 - CAS 83314-01-6 - Calbiochem;NSC 339555
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility t-Butanol > 9.2 (mg/mL)
Stability/Shelf Life Solution: Samples dissolved in PET solvent and t- Butanol showed no degradation after storage for 24 and 48 hr at ambient temperature. Samples dissolved in these same solvents showed no degradation after storage at 50 °C for 23 hr.

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H373:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P312:Call a POISON CENTER or doctor/physician if you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 905.0 g/mol
XLogP3 4
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 17
Rotatable Bond Count 13
Exact Mass 904.44565070 g/mol
Monoisotopic Mass 904.44565070 g/mol
Topological Polar Surface Area 240 Ų
Heavy Atom Count 64
Formal Charge 0
Complexity 1830
Isotope Atom Count 0
Defined Atom Stereocenter Count 11
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 5
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Bryostatin 1 is a member of the class of bryostatins that is (17E)-2-oxooxacyclohexacos-17-ene which is substituted by hydroxy groups at positions 4, 10, and 20; an acetoxy group at position 8; methyl groups at positions 9, 9, 18, and 19; 2-methoxy-2-oxoethylidene groups at positions 14 and 24; an (E,E)-octa-2,4-dienoyloxy group at position 21; and with oxygen bridges linking positions 6 to 10, 12 to 16, and 20 to 24. It is one of the most abundant member of the class of bryostatins. It has a role as a marine metabolite, a protein kinase C agonist, an alpha-secretase activator, an antineoplastic agent and an anti-HIV-1 agent. It is a member of bryostatins, an acetate ester, a methyl ester, an enoate ester, a cyclic hemiketal, an organic heterotetracyclic compound and a secondary alcohol.