Products for Research Use Only
RegisterLogin

IRL-2500

CAT: 0607-B6872-10Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-B6872-10Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
endothelin receptor antagonist
CAS Number
169545-27-1
Product Name Alternative
(S)-2-((R)-3-([1,1'-biphenyl]-4-yl)-2-(N,3,5-trimethylbenzamido)propanamido)-3-(1H-indol-3-yl)propanoic acid
Field of Research
GPCR G protein ETB Receptors
Purity
0.98
Form
White crystalline solid
Solubility
<43.03mg/ml in 1eq. NaOH
Smiles
O=C([C@@H](CC1=CC=C(C2=CC=CC=C2)C=C1)N(C)C(C3=CC(C)=CC(C)=C3)=O)N[C@H](C(O)=O)CC4=CNC5=CC=CC=C45
Molecular Formula
C36H35N3O4
Molecular Weight
573.69
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

Irl-2500

Endothelin-B receptor antagonist; structure in first source

CAS Number169545-27-1
PubChem CID5311192
IUPAC Name(2S)-2-[[(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Molecular FormulaC36H35N3O4
Molecular Weight573.7
XLogP5.9
Topological Polar Surface Area103
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count43
Formal Charge0
Complexity933
SMILES
CC1=CC(=CC(=C1)C(=O)N(C)[C@H](CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O)C
InChI
InChI=1S/C36H35N3O4/c1-23-17-24(2)19-28(18-23)35(41)39(3)33(20-25-13-15-27(16-14-25)26-9-5-4-6-10-26)34(40)38-32(36(42)43)21-29-22-37-31-12-8-7-11-30(29)31/h4-19,22,32-33,37H,20-21H2,1-3H3,(H,38,40)(H,42,43)/t32-,33+/m0/s1
InChIKey
UZDORQWMYRRLQV-JHOUSYSJSA-N
Chemical Structure
2D Structure
2D structure of Irl-2500
CAS: 169545-27-1
CID: 5311192
Formula: C36H35N3O4
MW: 573.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight573.7
XLogP35.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass573.26275661
Monoisotopic Mass573.26275661
Topological Polar Surface Area103 Ų
Heavy Atom Count43
Formal Charge0
Complexity933
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

Related Products

CatalogName
B5079-.5IRL-1038
B5266-1MRS 2500 tetraammonium salt
B7676-5ONO 2506
B7676-50ONO 2506
B7676-10ONO 2506
B7676-5.1ONO 2506
F4005-.25Prestained Protein Marker (Triple color, EDTA free, 10-250 kDa)
F4005-.5Prestained Protein Marker (Triple color, EDTA free, 10-250 kDa)

Alternative Products

CatalogName
255524IRL-2500
BUP09814-01IRL 2500
A13638-50IRL-2500 50mg
A13638-25IRL-2500 25mg
A13638-5IRL-2500 5mg
A13638-10IRL-2500 10mg
A13638-100IRL-2500 100mg
A13638-2IRL-2500 2mg
A13638-1IRL-2500 1mg
A13638-10mM-DIRL-2500 10mM * 1mL in DMSO

Popular Products