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Dersalazine sodium

CAT: 0931-T27150-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T27150-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
367249-56-7
Target
Others, Interleukin, PAFR
Related Pathways
GPCR/G Protein, Immunology/Inflammation, Others
Bioactivity
Dersalazine, a PAF antagonist and TNFα inhibitor, is used potentially for the treatment of ulcerative colitis. It showed anti-inflammatory effect in reactivated colitis in rats, as evidenced by a significant reduction in MPO activity.
Smiles
[Na].Cc1nc2cnccc2n1CC1CCN(CC1)C(=O)\C=C(\c1ccccc1)c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O |w:34.37|
Molecular Formula
C35H32N6NaO4
Molecular Weight
623.669
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dersalazine sodium

See also: Dersalazine sodium (annotation moved to).

CAS Number367249-56-7
PubChem CID135565341
IUPAC Namesodium 2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoate
Molecular FormulaC35H31N6NaO4
Molecular Weight622.6
Topological Polar Surface Area136
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count46
Formal Charge0
Complexity1070
SMILES
CC1=NC2=C(N1CC3CCN(CC3)C(=O)/C=C(/C4=CC=CC=C4)\C5=CC=C(C=C5)N=NC6=CC(=C(C=C6)O)C(=O)[O-])C=CN=C2.[Na+]
InChI
InChI=1S/C35H32N6O4.Na/c1-23-37-31-21-36-16-13-32(31)41(23)22-24-14-17-40(18-15-24)34(43)20-29(25-5-3-2-4-6-25)26-7-9-27(10-8-26)38-39-28-11-12-33(42)30(19-28)35(44)45;/h2-13,16,19-21,24,42H,14-15,17-18,22H2,1H3,(H,44,45);/q;+1/p-1/b29-20-,39-38?;
InChIKey
YLEYSRAGECECMB-KFYFWKRSSA-M
Chemical Structure
2D Structure
2D structure of Dersalazine sodium
CAS: 367249-56-7
CID: 135565341
Formula: C35H31N6NaO4
MW: 622.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight622.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass622.23044777
Monoisotopic Mass622.23044777
Topological Polar Surface Area136 Ų
Heavy Atom Count46
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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