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Home Other Building Blocks Dispiro[cyclohexane-1,2'-[2H]indene-1'(3'H),2''-[2H]iMidazol]-4''-aMine, 4-Methoxy-5''-Methyl-6'-[5-(1-propyn-1-yl)-3-pyridinyl]-, (1α,1'R,4β)-

Dispiro[cyclohexane-1,2'-[2H]indene-1'(3'H),2''-[2H]iMidazol]-4''-aMine, 4-Methoxy-5''-Methyl-6'-[5-(1-propyn-1-yl)-3-pyridinyl]-, (1α,1'R,4β)-

CAS No.:
1383982-64-6
Catalog Number:
AG009D1I
Molecular Formula:
C26H28N4O
Molecular Weight:
412.5267
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
99%
1 week
United States
$251
- +
5mg
99%
1 week
United States
$404
- +
10mg
99%
1 week
United States
$598
- +
50mg
99%
1 week
United States
$1585
- +
100mg
99%
1 week
United States
$2487
- +
Product Description
Catalog Number:
AG009D1I
Chemical Name:
Dispiro[cyclohexane-1,2'-[2H]indene-1'(3'H),2''-[2H]iMidazol]-4''-aMine, 4-Methoxy-5''-Methyl-6'-[5-(1-propyn-1-yl)-3-pyridinyl]-, (1α,1'R,4β)-
CAS Number:
1383982-64-6
Molecular Formula:
C26H28N4O
Molecular Weight:
412.5267
MDL Number:
MFCD30747858
InChI:
InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22?,25?,26-/m0/s1
InChI Key:
WKDNQONLGXOZRG-BOPKNSRXSA-N
SMILES:
CC#Cc1cncc(c1)c1ccc2c(c1)[C@]1(N=C(C(=N1)C)N)C1(C2)CCC(CC1)OC
UNII:
X8SPJ492VF
Properties
Complexity:
827  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
412.226g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
412.537g/mol
Monoisotopic Mass:
412.226g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
BACE1 Inhibitor Lanabecestat (AZD3293) in a Phase 1 Study of Healthy Japanese Subjects: Pharmacokinetics and Effects on Plasma and Cerebrospinal Fluid Aβ Peptides. Journal of clinical pharmacology 20171101
AZD3293: Pharmacokinetic and Pharmacodynamic Effects in Healthy Subjects and Patients with Alzheimer's Disease. Journal of Alzheimer's disease : JAD 20170101
AZD3293: A Novel, Orally Active BACE1 Inhibitor with High Potency and Permeability and Markedly Slow Off-Rate Kinetics. Journal of Alzheimer's disease : JAD 20160101
Compounds and Their Use as BACE Inhibitors: Patent Highlight. ACS medicinal chemistry letters 20121108
Properties