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NB-3

CAT: 0013-GTR19272842-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19272842-01Size:25 mg
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Description
NB-3 is an inhibitor of SARM1, the NAD+ hydrolase. NB-3 can block the hydrolysis process of NAD+ and form a covalent bond with the reaction product adenosine diphosphate ribose (ADPR) . The small-molecule ADPR adduct formed by the binding of NB-3 and ADPR shows excellent activity and exerts neuroprotective effects in nerve injury-related scenarios.
CAS Number
3109123-46-5
Smiles
[C@H] (N (C (NCC (F) (F) F) =O) C) (C) C=1C=CN=CC1
Molecular Formula
C11H14F3N3O
Molecular Weight
261.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-1-Methyl-1-(1-(pyridin-4-yl)ethyl)-3-(2,2,2-trifluoroethyl)urea
CAS Number3109123-46-5
PubChem CID168440967
IUPAC Name1-methyl-1-[(1S)-1-pyridin-4-ylethyl]-3-(2,2,2-trifluoroethyl)urea
Molecular FormulaC11H14F3N3O
Molecular Weight261.24
XLogP1.5
Topological Polar Surface Area45.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity277
SMILES
C[C@@H](C1=CC=NC=C1)N(C)C(=O)NCC(F)(F)F
InChI
InChI=1S/C11H14F3N3O/c1-8(9-3-5-15-6-4-9)17(2)10(18)16-7-11(12,13)14/h3-6,8H,7H2,1-2H3,(H,16,18)/t8-/m0/s1
InChIKey
NRMCGEBVBUWHHL-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-Methyl-1-(1-(pyridin-4-yl)ethyl)-3-(2,2,2-trifluoroethyl)urea
CAS: 3109123-46-5
CID: 168440967
Formula: C11H14F3N3O
MW: 261.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.24
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass261.10889656
Monoisotopic Mass261.10889656
Topological Polar Surface Area45.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity277
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

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