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3-AP-Me

CAT: 0013-GTR19250452-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250452-01Size:10 mg
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Description
3-AP-Me, a dimethylated derivative of the ribonucleotide reductase inhibitor 3-AP, induces apoptosis by activating ER stress through eIF2α phosphorylation and upregulating ATF4/ATF6. It also activates JNK/p38 kinases and XBP1 splicing. This compound is used in cancer research for studying stress pathways in vitro and in vivo.
CAS Number
1184391-57-8
Field of Research
Cell Biology, Signal Transduction
Smiles
S=C (NN=CC1=NC=CC=C1N) N (C) C
Molecular Formula
C9H13N5S
Molecular Weight
223.298
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[(3-Amino-2-pyridinyl)methylideneamino]-1,1-dimethylthiourea
CAS Number1184391-57-8
PubChem CID74960133
IUPAC Name3-[(3-amino-2-pyridinyl)methylideneamino]-1,1-dimethylthiourea
Molecular FormulaC9H13N5S
Molecular Weight223.30
XLogP0.4
Topological Polar Surface Area98.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity241
SMILES
CN(C)C(=S)NN=CC1=C(C=CC=N1)N
InChI
InChI=1S/C9H13N5S/c1-14(2)9(15)13-12-6-8-7(10)4-3-5-11-8/h3-6H,10H2,1-2H3,(H,13,15)
InChIKey
DQVSEUUIXQTWRB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[(3-Amino-2-pyridinyl)methylideneamino]-1,1-dimethylthiourea
CAS: 1184391-57-8
CID: 74960133
Formula: C9H13N5S
MW: 223.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.30
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass223.08916661
Monoisotopic Mass223.08916661
Topological Polar Surface Area98.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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