BRYOSTATIN 1 | CAS No. 83314-01-6

BRYOSTATIN 1

Basic Information

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CAS Number

83314-01-6

Molecular Formula

C47H68O17

Molecular Weight

905.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

230-235°

Boiling Point

716.44°C (rough estimate)

Density

1.1245 (rough estimate)

Solubility

DMSO: soluble

Refractive Index

1.5940 (estimate)

Specific Rotation

D25 +34.1° (c = 0.044 in methanol)

SMILES

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CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4CC(=CC(=O)OC)CC(O4)C=CC(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O

InChI

InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1

InChIKey

MJQUEDHRCUIRLF-TVIXENOKSA-N

LogP

4.2799000000000085

Topological Polar Surface Area

240.10999999999993 Å²

Hydrogen Bond Donor/Acceptor

4 / 17

Complexity

1830

Safety Information

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Toxicity

LD50 in mice, rats (mg/kg): 0.038, 0.068 i.v. (Prendiville)

Synonyms & References

English

NSC-339555
CHEMBL449158
BRYOSTATIN 1 [WHO-DD]
(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.1(3,7).1(11,15)]nonacos-8-en-12-yl (2E,4E)-octa-2,4-dienoate
MJQUEDHRCUIRLF-TVIXENOKSA-N
BDBM50258529
Bryostatin-1
BRN 4349157
DTXSID8046876
83314-01-6
Bryostatin 1, >=99%, solid
CS-0025440
2,4-Octadienoic acid, 25-(acetyloxy)-1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo(21.3.1.13,7.111,15)nonacos-8-en-12-yl ester, (1S-(1R*,3R*,5Z,7S*,8E,11R*,12R*(2E,4E),13E,15R*,17S*(S*),21S*,23S*,25R*))-
MFCD00893832
(1S-(1R*,3R*,5Z,7S*,8E,11R*,12R*(2E,4E),13E,15R*,17S*(S*),21S*,23S*,25R*))-25-(Acetyloxy)-1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo(21.3.1.13,7.111,15)nonacos-8-en-12-yl 2,4-octadienoate
2,4-Octadienoic acid, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-((1R)-1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo(21.3.1.13,7.111,15)nonacos-8-en-12-yl ester, (2E,4E)-
Bryostatin 1 - CAS 83314-01-6
BRYOSTATIN
[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate
Bryostatin 1
SCHEMBL182960
BRYOSTATIN 1 [MI]
(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(Acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl-(2E, 4E)-2,4-octadienoic acid ester
CHEBI:88353
UNII-37O2X55Y9E
Q27095907
BMY-45618
HY-105231
37O2X55Y9E
NSC 339555
2,4-Octadienoic acid,(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-ylester, (2E,4E)-

MDL Number

MFCD00893832

FAQ

What regulatory guidelines apply to BRYOSTATIN 1 (CAS: 83314-01-6)?

BRYOSTATIN 1 (CAS: 83314-01-6) falls under the scope of the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) and is regulated by the REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) framework in the EU. In the USA, it is also subject to regulatory requirements by the FDA and EPA, which include safety assessments, environmental impact studies, and handling guidelines.

Are there alternatives to BRYOSTATIN 1 (CAS: 83314-01-6) in synthesis?

Synthesizers often explore alternatives to BRYOSTATIN 1 (CAS: 83314-01-6) due to its complexity and cost. Common alternatives include analogs such as brystatin analogs, and using isomers like 4b-hydroxybryostatin 1. Other substitutes may involve using different reagents in the synthesis process to achieve similar biological activities.

What is the market or research trend for BRYOSTATIN 1 (CAS: 83314-01-6)?

The market for BRYOSTATIN 1 (CAS: 83314-01-6) is growing due to its potential in cancer and neurodegenerative disease research. Recent trends show increased interest in developing cheaper and more efficient synthesis methods. Research is also focusing on uncovering new therapeutic applications, which drives market demand and innovation.

How should waste containing BRYOSTATIN 1 (CAS: 83314-01-6) be handled?

Waste containing BRYOSTATIN 1 (CAS: 83314-01-6) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, but environmental protection protocols must be followed. It is crucial to avoid landfill disposal due to its potential bioactivity. Always refer to local and national regulations for disposal guidelines to ensure safe and compliant handling.