Bibn 99

CAT: 0013-GTR19198089-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19198089-02Size:50 mg

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Description

Bibn 99 is a lipophilic, selective antagonist of the muscarinic M2 receptor. Its utility in research includes investigating cognitive function and Alzheimer's disease pathology, with applications in both in vitro binding assays and in vivo behavioral studies.

CAS Number

145301-48-0

Field of Research

Neuroscience

Smiles

C (CN1CCC (CCCN (C (C (CCC) (C) C) =O) CC) CC1) (=O) N2C=3C (C (=O) NC=4C2=NC=CC4) =CC (Cl) =CC3

Molecular Formula

C31H42ClN5O3

Molecular Weight

568.15

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Bibn 99

structure given in first source; a highly selective M2 antagonist

CAS Number	145301-48-0
PubChem CID	132712
IUPAC Name	N-[3-[1-[2-(8-chloro-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]piperidin-4-yl]propyl]-N-ethyl-2,2-dimethylpentanamide
Molecular Formula	C31H42ClN5O3
Molecular Weight	568.1
XLogP	4.5
Topological Polar Surface Area	85.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	40
Formal Charge	0
Complexity	877

SMILES

CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC1)CC(=O)N2C3=C(C=C(C=C3)Cl)C(=O)NC4=C2N=CC=C4

InChI

InChI=1S/C31H42ClN5O3/c1-5-15-31(3,4)30(40)36(6-2)17-8-9-22-13-18-35(19-14-22)21-27(38)37-26-12-11-23(32)20-24(26)29(39)34-25-10-7-16-33-28(25)37/h7,10-12,16,20,22H,5-6,8-9,13-15,17-19,21H2,1-4H3,(H,34,39)

InChIKey

LUPAFPUKESJDMZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 145301-48-0

CID: 132712

Formula: C31H42ClN5O3

MW: 568.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	568.1
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	567.2976179
Monoisotopic Mass	567.2976179
Topological Polar Surface Area	85.9 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	877
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
GTR19198091-01	Bibn 140
GTR19212028-01	AS-99
GTR19209493-01	FLA-99
GTR19191761-01	EGFR-IN-99
GTR19190981-01	AS-99 TFA
GTR19273606-01	α-Glucosidase-IN-99
GTR19263659-01	Y-99
GTR19158407-01	AG 99
GTR19172731-01	S-99
GTR19235133-01	HSD17B13-IN-99

Alternative Products

Catalog	Name
T26798-01	Bibn 140
MBS5776526	Bibn 99
4561/10	BIBN 4096
HY-119953	BIBN-99
254747	BIBN 4096 discontinued. See 018736

Bibn 99

Chemical Information

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