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SJG-136

CAT: 0607-BA2328-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2328-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
232931-57-6
Form
A solid
Molecular Formula
C31H32N4O6
Molecular Weight
556.61
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Sjg 136

SJG-136 has been used in trials studying the treatment of Recurrent Fallopian Tube Cancer, Secondary Acute Myeloid Leukemia, de Novo Myelodysplastic Syndromes, Recurrent Ovarian Epithelial Cancer, and Secondary Myelodysplastic Syndromes, among others.

CAS Number232931-57-6
PubChem CID393111
IUPAC Name(6aS)-3-[3-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-methylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
Molecular FormulaC31H32N4O6
Molecular Weight556.6
XLogP1.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity1020
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
InChI
InChI=1S/C31H32N4O6/c1-18-8-20-14-32-24-12-28(26(38-3)10-22(24)30(36)34(20)16-18)40-6-5-7-41-29-13-25-23(11-27(29)39-4)31(37)35-17-19(2)9-21(35)15-33-25/h10-15,20-21H,1-2,5-9,16-17H2,3-4H3/t20-,21-/m0/s1
InChIKey
RWZVMMQNDHPRQD-SFTDATJTSA-N
Chemical Structure
2D Structure
2D structure of Sjg 136
CAS: 232931-57-6
CID: 393111
Formula: C31H32N4O6
MW: 556.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight556.6
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass556.23218475
Monoisotopic Mass556.23218475
Topological Polar Surface Area102 Ų
Heavy Atom Count41
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes