Products for Research Use Only
RegisterLogin

Tipelukast

CAT: 0931-T15647-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T15647-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
125961-82-2
Target
Leukotriene Receptor
Related Pathways
GPCR/G Protein
Purity
>99.99%
Bioactivity
Tipelukast (KCA 757) is a novel, orally available leukotriene receptor antagonist with anti-inflammatory properties, capable of reducing fibrosis and down-regulating TIMP-1 and type 1 collagen. Tipelukast is utilized in asthma research.
Smiles
CCCc1c(O)c(ccc1SCCCOc1ccc(C(C)=O)c(OCCCC(O)=O)c1CCC)C(C)=O
Molecular Formula
C29H38O7S
Molecular Weight
530.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(6-Acetyl-3-(3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy)-2-propylphenoxy)butyric acid

Tipelukast is an aromatic ketone.

CAS Number125961-82-2
PubChem CID9893228
IUPAC Name4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylpropoxy]-2-propylphenoxy]butanoic acid
Molecular FormulaC29H38O7S
Molecular Weight530.7
XLogP6.5
Topological Polar Surface Area135
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count37
Formal Charge0
Complexity714
SMILES
CCCC1=C(C=CC(=C1OCCCC(=O)O)C(=O)C)OCCCSC2=C(C(=C(C=C2)C(=O)C)O)CCC
InChI
InChI=1S/C29H38O7S/c1-5-9-23-25(14-12-22(20(4)31)29(23)36-16-7-11-27(32)33)35-17-8-18-37-26-15-13-21(19(3)30)28(34)24(26)10-6-2/h12-15,34H,5-11,16-18H2,1-4H3,(H,32,33)
InChIKey
KPWYNAGOBXLMSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(6-Acetyl-3-(3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy)-2-propylphenoxy)butyric acid
CAS: 125961-82-2
CID: 9893228
Formula: C29H38O7S
MW: 530.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.7
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass530.23382472
Monoisotopic Mass530.23382472
Topological Polar Surface Area135 Ų
Heavy Atom Count37
Formal Charge0
Complexity714
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
467662-01Tipelukast
sc-472654Tipelukast-d6
HY-167643Hydroxy tipelukast
A21249-25Tipelukast 25mg
A21249-10Tipelukast 10mg
sc-488831Hydroxy tipelukast-d6
A21249-50Tipelukast 50mg
A21249-5Tipelukast 5mg
A21249-1Tipelukast 1mg
TRC-H965450-75MGHydroxy Tipelukast Sodium Salt

Popular Products