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Harmine 19a

CAT: 0013-GTR19272722-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19272722-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Harmine 19a is an antitumor agent based on the structure of the Twist1 inhibitor harmine. It exhibits inhibitory activity against A549 and H2228 cell lines, with IC50 values of 2.03 μM and 9.80 μM respectively, and can be utilized for non - small cell lung cancer (NSCLC) .
CAS Number
2699749-60-3
Purity
99.76% (May vary between batches)
Smiles
N=1N=C (OC1C2=C (N=C3SC=4C=CC=CC4N32) C) CCN5CCCCC5
Molecular Formula
C19H21N5OS
Molecular Weight
367.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Harmine 19a HCI
CAS Number2699749-60-3
PubChem CID164615519
IUPAC Name2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole
Molecular FormulaC19H21N5OS
Molecular Weight367.5
XLogP4.4
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity491
SMILES
CC1=C(N2C3=CC=CC=C3SC2=N1)C4=NN=C(O4)CCN5CCCCC5
InChI
InChI=1S/C19H21N5OS/c1-13-17(24-14-7-3-4-8-15(14)26-19(24)20-13)18-22-21-16(25-18)9-12-23-10-5-2-6-11-23/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKey
IEPXMWDSFMEZRK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Harmine 19a HCI
CAS: 2699749-60-3
CID: 164615519
Formula: C19H21N5OS
MW: 367.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.5
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass367.14668148
Monoisotopic Mass367.14668148
Topological Polar Surface Area87.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity491
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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