(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one

Base Information

Chemical Name:(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one
CAS No.:53760-20-6
Molecular Formula:C28H37 N O4
Molecular Weight:451.6
Hs Code.:
European Community (EC) Number:637-306-4
ChEMBL ID:CHEMBL5180700
DSSTox Substance ID:DTXSID101017590
Metabolomics Workbench ID:156644
Mol file:53760-20-6.mol

(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one

Synonyms:deacetylcytochalasin H;deacetylcytochalasin H, (7S,13E,16S,18R,19E,21R)-isomer;cytochalasin J

Suppliers and Price of (1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
CytochalasinJ
2.5mg
$ 165.00

Cayman Chemical
Cytochalasin J ≥95%
5mg
$ 357.00

Cayman Chemical
Cytochalasin J ≥95%
1mg
$ 96.00

ApexBio Technology
CytochalasinJ
1mg
$ 117.00

American Custom Chemicals Corporation
CYTOCHALASIN J 95.00%
5MG
$ 459.05

Adipogen Life Sciences
CytochalasinJ ≥98%(NMR)
1 mg
$ 95.00

Total 6 raw suppliers

Chemical Property of (1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one

Chemical Property:

Vapor Pressure:2.15E-19mmHg at 25°C
Melting Point:138°C (dec.)
Boiling Point:679.5°Cat760mmHg
PKA:13.03±0.70(Predicted)
Flash Point:364.8°C
PSA：89.79000
Density:1.2g/cm³
LogP:3.49610
Storage Temp.:2-8°C
Solubility.:Soluble in ethanol;Soluble in methanol;Soluble in DMSO;Soluble in dimethyl formamide
XLogP3:2.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:451.27225866
Heavy Atom Count:33
Complexity:815

Purity/Quality:

98%Min ^*data from raw suppliers

CytochalasinJ ^*data from reagent suppliers

Safty Information:

Pictogram(s): T+
Hazard Codes:T+
Statements: 26/27/28-63-40
Safety Statements: 28-36/37-45-36/37/39-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1CC=CC2C(C(=C)C(C3C2(C(C=CC(C1)(C)O)O)C(=O)NC3CC4=CC=CC=C4)C)O
Isomeric SMILES:C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](/C=C/[C@](C1)(C)O)O)C(=O)N[C@H]3CC4=CC=CC=C4)C)O
Uses Cytochalasin J is a cell-permeable fungal toxin used in actin polymerization studies and cytological research.

Technology Process of (1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one

There total 5 articles about (1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 53760-19-3
cytochalasin H

: 53760-20-6,56144-22-0
deacetylcytochalasin H

Guidance literature:: With potassium hydroxide; In methanol; at 20 ℃; for 4h; Yield given;
DOI:10.1016/S0040-4020(01)83434-7

Reference yield:

: 80618-96-8,96639-05-3
Epoxycytochalasin H

: 53760-20-6,56144-22-0
deacetylcytochalasin H

Guidance literature:: Multi-step reaction with 2 steps

1: Al(OCH(CH₃)2)3 / toluene

2: 5 percent KOH

With potassium hydroxide; aluminum isopropoxide; In toluene;
DOI:10.1248/cpb.35.902

Reference yield:

: 121981-24-6,80618-95-7
Epoxycytochalasin J

: 53760-20-6,56144-22-0
deacetylcytochalasin H

Guidance literature:: Multi-step reaction with 3 steps

1: pyridine

2: Al(OCH(CH₃)2)3 / toluene

3: 5 percent KOH

With potassium hydroxide; aluminum isopropoxide; In pyridine; toluene;
DOI:10.1248/cpb.35.902