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YM022

CAT: 0804-HY-103355-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-103355-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
YM022 is a highly potent, selective and orally active gastrin/cholecystokinin (CCK) -B receptor (CCK-BR) antagonist. YM022 shows the Ki values of 68 pM and 63 nM for CCK-B and CCK-A receptor, respectively[1]. YM022 can inhibit gastrin-induced gastric acid secretion and histidine decarboxylase activation in vivo[3].
CAS Number
145084-28-2
UNSPSC
12352005
Hazard Statement
H301
Target
CCR
Type
Reference compound
Related Pathways
GPCR/G Protein; Immunology/Inflammation
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/ym022.html
Purity
99.87
Smiles
O=C(NC1=CC=CC(C)=C1)N[C@H]2C(N(CC(C3=CC=CC=C3C)=O)C4=CC=CC=C4C(C5=CC=CC=C5)=N2)=O
Molecular Formula
C32H28N4O3
Molecular Weight
516.59
Precautions
H301
References & Citations
[1]Nishida A, et al. Pharmacological profile of (R) -1-[2,3-dihydro-1- (2'-methylphenacyl) -2-oxo- 5-phenyl-1H-1,4-benzodiazepin-3-yl]-3- (3-methylphenyl) urea (YM022), a new potent and selective gastrin/cholecystokinin-B receptor antagonist, in vitro and in vivo.J Pharmacol Exp Ther. 1994 May;269 (2) :725-31.|[2]Kitano M, et al. Long-lasting cholecystokinin (2) receptor blockade after a single subcutaneous injection of YF476 or YM022.Br J Pharmacol. 2000 Jun;130 (3) :699-705.|[3]Beinborn M, et al. Small synthetic ligands of the cholecystokinin-B/gastrin receptor can mimic the function of endogenous peptide hormones.Yale J Biol Med. 1998 May-Aug;71 (3-4) :337-46.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CCR1; CCR2

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

Alternative Products

CatalogName
E8129YM022

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