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Omtriptolide

CAT: 0804-HY-16363-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16363-04Size:25 mg
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Description
Omtriptolide (PG490-88) is a derivative proagent of triptolide purified from the Chinese herb.
CAS Number
195883-06-8
Product Name Alternative
PG 490-88
UNSPSC
12352005
Target
Apoptosis; IFNAR; Interleukin Related; NF-κB; TGF-β Receptor; TNF Receptor
Type
Reference compound
Related Pathways
Apoptosis; Immunology/Inflammation; NF-κB; TGF-beta/Smad
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/Omtriptolide.html
Purity
97.02
Solubility
H2O : 1.39 mg/mL (ultrasonic)
Smiles
C[C@@]([C@@]1([H])C[C@@H]2O3)(CCC4=C1COC4=O)[C@]5([C@H]([C@H]6[C@]7(C(C)C)O6)O5)[C@]23[C@@H]7OC(CCC(O)=O)=O
Molecular Formula
C24H28O9
Molecular Weight
460.47
References & Citations
[1]Kim HJ, et al. The water-soluble triptolide derivative PG490-88 protects against cisplatin-induced acute kidney injury. J Pharmacol Exp Ther. 2014 Jun;349 (3) :518-25.|[2]Leonard CT, et al. PG490-88, a derivative of triptolide, attenuates obliterative airway disease in a mouse heterotopic tracheal allograft model. J Heart Lung Transplant. 2002 Dec;21 (12) :1314-8.|[3]Krishna G, et al. PG490-88, a derivative of triptolide, blocks bleomycin-induced lung fibrosis. Am J Pathol. 2001 Mar;158 (3) :997-1004.|[4]Chen BJ, et al. Prevention of graft-versus-host disease by a novel immunosuppressant, PG490-88, through inhibition of alloreactive T cell expansion. Transplantation. 2000 Nov 27;70 (10) :1442-7.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
ERK

Chemical Information

YM 262

a water-soluble, semisynthetic derivative of PG490 (triptolide) purified from the Chinese herb Tripterygium Wilfordii; structure in first source

CAS Number195883-06-8
PubChem CID6918522
IUPAC Name4-[[(1S,2S,4S,5S,7S,8R,9R,11S,13S)-1-methyl-17-oxo-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-8-yl]oxy]-4-oxobutanoic acid
Molecular FormulaC24H28O9
Molecular Weight460.5
XLogP0.2
Topological Polar Surface Area127
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity1050
SMILES
CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2OC(=O)CCC(=O)O)O7)COC6=O)C
InChI
InChI=1S/C24H28O9/c1-10(2)22-17(32-22)18-24(33-18)21(3)7-6-11-12(9-29-19(11)28)13(21)8-14-23(24,31-14)20(22)30-16(27)5-4-15(25)26/h10,13-14,17-18,20H,4-9H2,1-3H3,(H,25,26)/t13-,14-,17-,18-,20+,21-,22-,23+,24+/m0/s1
InChIKey
HROMYAWHLUOUPY-AHCCQAQQSA-N
Chemical Structure
2D Structure
2D structure of YM 262
CAS: 195883-06-8
CID: 6918522
Formula: C24H28O9
MW: 460.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.5
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass460.17333247
Monoisotopic Mass460.17333247
Topological Polar Surface Area127 Ų
Heavy Atom Count33
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA6450-1Omtriptolide
T33798-01Omtriptolide sodium
A21322-50Omtriptolide 50mg
A21322-1Omtriptolide 1mg
A21322-10Omtriptolide 10mg
A21322-5Omtriptolide 5mg
A21322-25Omtriptolide 25mg

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