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TCV-309 (chloride)

CAT: 0804-HY-19121A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19121A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TCV-309 chloride is a potent and specific platelet activating factor (PAF) antagonist. TCV-309 chloride specifically inhibits PAF-induced aggregation of rabbit and human platelets, and [3H]PAF binding to rabbit platelet microsomes with IC50 values of 33 nM, 58 nM and 27 nM, respectively. TCV-309 chloride has beneficial effects in anaphylactic shock[1][2].
CAS Number
121494-09-5
UNSPSC
12352005
Target
Platelet-activating Factor Receptor (PAFR)
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/TCV-309-chloride.html
Concentration
10mM
Purity
95.0
Solubility
DMSO : 6.3 mg/mL (ultrasonic)
Smiles
CCC[N+]1=CC(C(N(CCC(NCCOC(N2CC3=C(C=CC=C3)CC2)=O)=O)C4=CC=CC=C4)=O)=CC(Br)=C1.[Cl-]
Molecular Formula
C30H34BrClN4O4
Molecular Weight
629.97
References & Citations
[1]Terashita Z et al. Beneficial effects of TCV-309, a novel potent and selective platelet activating factor antagonist in endotoxin and anaphylactic shock in rodents. J Pharmacol Exp Ther. 1992 Feb;260 (2) :748-55.|[2]M Poeze, et al. Decreased organ failure in patients with severe SIRS and septic shock treated with the platelet-activating factor antagonist TCV-309: a prospective, multicenter, double-blind, randomized phase II trial. TCV-309 Septic Shock Study Group. Shock. 2000 Oct;14 (4) :421-8.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

TCV-309 chloride
CAS Number121494-09-5
PubChem CID15037614
IUPAC Name2-[3-(N-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)anilino)propanoylamino]ethyl 3,4-dihydro-1H-isoquinoline-2-carboxylate chloride
Molecular FormulaC30H34BrClN4O4
Molecular Weight630.0
Topological Polar Surface Area82.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count40
Formal Charge0
Complexity808
SMILES
CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCC(=O)NCCOC(=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4.[Cl-]
InChI
InChI=1S/C30H33BrN4O4.ClH/c1-2-15-33-20-25(19-26(31)22-33)29(37)35(27-10-4-3-5-11-27)17-13-28(36)32-14-18-39-30(38)34-16-12-23-8-6-7-9-24(23)21-34;/h3-11,19-20,22H,2,12-18,21H2,1H3;1H
InChIKey
HBWMSZWQSYEBPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TCV-309 chloride
CAS: 121494-09-5
CID: 15037614
Formula: C30H34BrClN4O4
MW: 630.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight630.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass628.14520
Monoisotopic Mass628.14520
Topological Polar Surface Area82.8 Ų
Heavy Atom Count40
Formal Charge0
Complexity808
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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