Basic information
- CAS
83314-01-6- Standard SMILES
CCC/C=C/C=C/C(=O)OC1/C(=C/C(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4C/C(=C/C(=O)OC)CC(/C=C/C(C)(C)C1(O)O2)O4)O3- InChIKey
MJQUEDHRCUIRLF-KOWVOJLTSA-N- Molecular formula
- C47H68O17
- Average molar mass
- 905 g/mol
- Monoisotopic mass
- 904.4456507
Names & identifiers
- Preferred name
- Bryostatin I
- IUPAC
- [(5Z,8E,13E)-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] (2E,4E)-octa-2,4-dienoate
- English name
- BRYOSTATIN 1
- Molecular formula
- C47H68O17
- Molecular weight
- 905.03
Names & synonyms
NSC339555BRYOSTATIN ICHEMBL4296873SCHEMBL22084841B705008K112BRYOSTATINBRYO 1CS-1164NSC-339555Byrostatin 1BRYOSTATIN 1bryostatin1,0
Show more names
(26R)-Bryostatin 1Bryostatin 1, protein kinase C activatorBryostatin 1 - CAS 83314-01-6 - Calbiochem
Database identifiers
- CAS
83314-01-6- PubChem CID
- 5477635
- ChEMBL
CHEMBL4296873
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 240 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 13
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,830
Physicochemical properties
- Melting point
- 230 · 230-235°
- alpha
- 25 · D25 +34.1° (c = 0.044 in methanol)
- Boiling point
- 716.44 °C · 716.44°C (rough estimate)
- Density
- 1.1245 · 1.1245 (rough estimate)
- refractive index
- 1.594 · 1.5940 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- DMSO: soluble
- form
- solid
- pka
- 11.1 · 11.10±0.70(Predicted)
- color
- white
- optical activity
- 34.125 · +34.125 (methanol)
- InChIKey
- MJQUEDHRCUIRLF-TVIXENOKSA-N
- EWG's Food Scores
- 1 · 1
- NCI Dictionary of Cancer Terms
- 1 · bryostatin 1
- FDA UNII
- 37 O2X55Y9E · 37O2X55Y9E
- NCI Drug Dictionary
- 1 · bryostatin 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- EH9455000
- hs_code
- 2932990090
- Toxicity
- LD50 in mice, rats (mg/kg): 0.038, 0.068 i.v. (Prendiville)
- risk_code
- 68
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-24/25-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335-H373
- Precautionary statements
- P271-P280-P312
Chemistry & industry
Applications
UsesBryostatin 1 has been used to study its effects on spontaneous Crohn′s disease (CD) like colitis inmice. It has also been used to study its effects as an anthelmintic drug on adult Syphacia muris infection in rats.
Suppliers26 total
北京华美互利生物化工010-56205725 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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