Sjg-136

Base Information

Chemical Name:Sjg-136
CAS No.:232931-57-6
Molecular Formula:C₃₁H₃₂N₄O₆
Molecular Weight:556.618
Hs Code.:
NSC Number:694501
UNII:KT0ZQ64X1A
DSSTox Substance ID:DTXSID20177864
Nikkaji Number:J1.495.937H
Wikidata:Q27282424
NCI Thesaurus Code:C29435
Metabolomics Workbench ID:153037
ChEMBL ID:CHEMBL16498
Mol file:232931-57-6.mol

Synonyms:1,1'-((propane-1,3-diyl)dioxy)bis(7-methoxy-2-methylidene-1,2,3,10,11,11a-hexahydro-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5,11-dione);NSC 694501;NSC-694501;NSC694501;SJG 136;SJG-136;SJG136;uglydimer1 cpd

Suppliers and Price of Sjg-136

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

CSNpharm
SJG-136
2mg
$ 360.00

CSNpharm
SJG-136
5mg
$ 654.00

Crysdot
UP2001 98+%
25mg
$ 2041.00

Crysdot
UP2001 98+%
10mg
$ 1015.00

Crysdot
UP2001 98+%
5mg
$ 615.00

ChemScene
SJG-136 >98.0%
5mg
$ 720.00

ChemScene
SJG-136 >98.0%
10mg
$ 1150.00

ChemScene
SJG-136 >98.0%
25mg
$ 1950.00

ChemScene
SJG-136 >98.0%
50mg
$ 2800.00

Arctom
SJG-136 ≥98%
25mg
$ 2427.00

Total 13 raw suppliers

Chemical Property of Sjg-136

Chemical Property:

Boiling Point:805.5±65.0 °C(Predicted)
PKA:3.88±0.20(Predicted)
Flash Point:441oC
PSA：102.26000
Density:1.36±0.1 g/cm3(Predicted)
LogP:3.27190
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:556.23218475
Heavy Atom Count:41
Complexity:1020

Purity/Quality:

99%, ^*data from raw suppliers

SJG-136 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=C2C(=C1)C(=O)N3CC(=C)CC3C=N2)OCCCOC4=C(C=C5C(=C4)N=CC6CC(=C)CN6C5=O)OC
Isomeric SMILES:COC1=C(C=C2C(=C1)C(=O)N3CC(=C)C[C@H]3C=N2)OCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CC(=C)CN6C5=O)OC
Recent ClinicalTrials:SJG-136 in Treating Patients With Epithelial Ovarian, Primary Peritoneal, or Fallopian Tube Cancer That Did Not Respond to Previous Treatment With Cisplatin or Carboplatin

Technology Process of Sjg-136

There total 17 articles about Sjg-136 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: 77.0%

: 232931-64-5
1,1'-[[(propane-1,3-diyl)dioxy]-bis(11S,11aS)-10-(allyloxycarbonyl)-11-hydroxy-7-methoxy-2-methylidene-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]-benzodiazepin-5-one]

: 232931-57-6
1,1'-[[(propane-1,3-diyl)dioxy]bis[(11aS)-7-methoxy-2-methylidene-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one]]

Guidance literature:: With pyrrolidine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; triphenylphosphine; In dichloromethane; acetonitrile; at 20 ℃; for 2.25h;
DOI:10.1021/jm001064n

Reference yield: 70.0%

: 1221969-15-8
1,1'-[[(propane-1,3-diyl)dioxy]bis[(11aS)-7-methoxy-2-methylidene-10-((2-(trimethylsilyl)ethoxy)methyl)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1c]-[1,4]benzodiazepin-5,11-dione]]

: 232931-57-6
1,1'-[[(propane-1,3-diyl)dioxy]bis[(11aS)-7-methoxy-2-methylidene-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one]]

Guidance literature:: With lithium borohydride; ethanol; In tetrahydrofuran; for 1h; Inert atmosphere;

Reference yield:

: 140658-45-3
1',3'-bis(4-carboxy-2-methoxy-5-nitrophenoxy)propane

: 232931-57-6
1,1'-[[(propane-1,3-diyl)dioxy]bis[(11aS)-7-methoxy-2-methylidene-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one]]

Guidance literature:: Multi-step reaction with 7 steps

1: oxalyl chloride; DMF / tetrahydrofuran / 16 h

2: Et₃N / tetrahydrofuran; H₂O / 2 h / 20 °C

3: 94 percent / TBAF / tetrahydrofuran / 0.5 h / 0 - 20 °C

4: 61 percent / SnCl₂*2H₂O / methanol / 0.75 h / Heating

5: 50 percent / pyridine / CH₂Cl₂ / 2.5 h / 20 °C

6: 32 percent / NMO; 4 Angstroem molecular sieves; TPAP / CH₂Cl₂; acetonitrile / 2.5 h / 20 °C

7: 77 percent / PPh₃; pyrrolidine; Pd(PPh₃)4 / CH₂Cl₂; acetonitrile / 2.25 h / 20 °C

With pyrrolidine; pyridine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; N-methyl-2-indolinone; tetrapropylammonium perruthennate; oxalyl dichloride; 4 A molecular sieve; tetrabutyl ammonium fluoride; triethylamine; N,N-dimethyl-formamide; triphenylphosphine; tin(ll) chloride; In tetrahydrofuran; methanol; dichloromethane; water; acetonitrile;
DOI:10.1021/jm001064n