Microtubule stabilizer-1

CAT: 0931-T212092-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T212092-01Size:10 mg

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CAS Number

2699937-76-1

Target

Microtubule Associated

Related Pathways

Cytoskeletal Signaling

Bioactivity

Microtubule stabilizer-1 (compound 69) is a microtubule (MT) stabilizer capable of crossing the blood-brain barrier. It increases the levels of acetylated α-tubulin (AcTub) and prevents the characteristic loss of neuronal microtubules observed after incubation with Okadaic acid. This compound is useful in researching Alzheimer's disease (AD) and related neurodegenerative tauopathies.

Smiles

N([C@@H](C(C)(C)C)C)C1=C(C(Cl)=NC=2N1N=CN2)C3=C(F)C=C(C#N)C=C3F

Molecular Formula

C18H17ClF2N6

Molecular Weight

390.82

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Microtubule stabilizer-1

CAS Number	2699937-76-1
PubChem CID	162651472
IUPAC Name	4-[5-chloro-7-[[(2R)-3,3-dimethylbutan-2-yl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3,5-difluorobenzonitrile
Molecular Formula	C18H17ClF2N6
Molecular Weight	390.8
XLogP	5.1
Topological Polar Surface Area	78.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	566

SMILES

C[C@H](C(C)(C)C)NC1=C(C(=NC2=NC=NN12)Cl)C3=C(C=C(C=C3F)C#N)F

InChI

InChI=1S/C18H17ClF2N6/c1-9(18(2,3)4)25-16-14(15(19)26-17-23-8-24-27(16)17)13-11(20)5-10(7-22)6-12(13)21/h5-6,8-9,25H,1-4H3/t9-/m1/s1

InChIKey

NAOUKDPJPWIYSB-SECBINFHSA-N

Chemical Structure

2D Structure

CAS: 2699937-76-1

CID: 162651472

Formula: C18H17ClF2N6

MW: 390.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	390.8
XLogP3	5.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	390.1171286
Monoisotopic Mass	390.1171286
Topological Polar Surface Area	78.9 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	566
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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Microtubule stabilizer-1

Chemical Information

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