Products for Research Use Only
RegisterLogin

YM 022

CAT: 0572-TRC-Y100620-500MGSize: 500 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-Y100620-500MGSize:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
145084-28-2
Synonyms
YM 022
Hazard Statement
No Data Available
Smiles
Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c4ccccc4N(CC(=O)c5ccccc5C)C2=O)c1
Molecular Formula
C32 H28 N4 O3
Molecular Weight
516.59
InChI
InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1
Additionnal Information
IUPAC name: 1-(3-methylphenyl)-3-[(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
Shipping Conditions
Room Temperature

Chemical Information

YM 022

a potent and selective gastrin/cholecystokinin-B receptor antagonist; structure given in first source

CAS Number145084-28-2
PubChem CID122130
IUPAC Name1-(3-methylphenyl)-3-[(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
Molecular FormulaC32H28N4O3
Molecular Weight516.6
XLogP5.6
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity913
SMILES
CC1=CC(=CC=C1)NC(=O)N[C@H]2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)C5=CC=CC=C5C
InChI
InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1
InChIKey
YCXFHPUBGMMWJQ-PMERELPUSA-N
Chemical Structure
2D Structure
2D structure of YM 022
CAS: 145084-28-2
CID: 122130
Formula: C32H28N4O3
MW: 516.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.6
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass516.21614077
Monoisotopic Mass516.21614077
Topological Polar Surface Area90.9 Ų
Heavy Atom Count39
Formal Charge0
Complexity913
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-Y100613-100MGYM-53601
Y100580YM 201636
TRC-Y100565-500MGYM 2447690
TRC-Y100615-100MGYM 264
TRC-Y100625-100MGYM 244769
TRC-Y100617-75MGYM 264-D4
TRC-Y100600-250MGYM 758 Phosphate
TRC-R020000-1GR-59-022 (Diacylglycerol Kinase Inhibitor I)
TRC-R020002-100MGR-59-022-d5 (Mono-defluoro Ritanserin-d5)

Alternative Products

CatalogName
TBI3024-25MGAc-Leu-Leu-Nle-CHO (ALLN), Calpain inhibitor
TBS10340-0.5MGInVivo Mouse IgG1 Isotype Control Antibody
TBS10338-0.5MGInVivo Anti-Mouse CD161/KLRB1/NK1.1 Antibody
TBS10336-1MGInVivoMAb Anti-Human Flt3 ligand/FLT3LG Antibody
TBS10334-0.5MGInVivo Anti-Human CDH17/Cadherin-17 Monoclonal Antibody
TBS10333-1MGInVivo Anti-Phosphotyrosine Monoclonal Antibody
TBS42064-100Clostridium butyricum qPCR Detection Kit
TBI5887-25MGRo 5-3335, RUNX1 inhibitor
TBI5778-5MGSBI-797812, NAMPT activator
TBI5468-25MGPyrintegrin, ß1-integrin agonist

Popular Products