GI 181771

CAT: 0931-T15382-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T15382-03Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

305366-98-7

Target

Cholecystokinin Receptor

Related Pathways

GPCR/G Protein

Purity

0.9563

Bioactivity

GI 181771 is an agonist of the cholecystokinin 1 receptor. GI 181771 can be used in studies about obesity.

Smiles

O=C1N(C=2C(N(CC(N(C(C)C)C3=CC=CC=C3)=O)C(=O)[C@@H]1NC(NC4=CC(C(O)=O)=CC=C4)=O)=CC=CC2)C5=CC=CC=C5

Molecular Formula

C34H31N5O6

Molecular Weight

605.64

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

GI-181771X

Gski181771 X is under investigation in clinical trial NCT00600743 (Effect of a CCK-1R Agonist on Food Intake in Humans).

CAS Number	305366-98-7
PubChem CID	51353551
IUPAC Name	3-[[(3S)-2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid
Molecular Formula	C34H31N5O6
Molecular Weight	605.6
XLogP	4.3
Topological Polar Surface Area	139
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	45
Formal Charge	0
Complexity	1090

SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N(C(=O)[C@H](C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1

InChIKey

CABBMMXFOOZVMS-PMERELPUSA-N

Chemical Structure

2D Structure

CAS: 305366-98-7

CID: 51353551

Formula: C34H31N5O6

MW: 605.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	605.6
XLogP3	4.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	605.22743373
Monoisotopic Mass	605.22743373
Topological Polar Surface Area	139 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1090
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
FMA36698-01	GI 181771
A21396-10	GI 181771 10mg
A21396-5	GI 181771 5mg
A21396-1	GI 181771 1mg
A21396-50	GI 181771 50mg

GI 181771

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