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OD36

CAT: 0931-T35694-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T35694-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1638644-62-8
Target
ALK, TGF-beta/Smad, RIP kinase
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors, Stem Cells, Apoptosis, NF-κB
Purity
0.9989
Bioactivity
OD36 is a selective and potent RIPK2 inhibitor with an IC50 of 5.3 nM.OD36 inhibits ALK2 signaling and osteogenic differentiation (KD: 37 nM), and binds efficiently to the ALK2 kinase ATP pocket.
Smiles
Clc1cc2OCCOCCN=C3Nc4c(cnn4C=C3)-c(c1)c2
Molecular Formula
C16H15ClN4O2
Molecular Weight
330.77
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-Chloro-10,11,14,17-tetrahydro-13H-1,16-etheno-4,8-metheno-1H-pyrazolo[3,4-g][1,14,4,6]dioxadiazacyclohexadecine
CAS Number1638644-62-8
PubChem CID135567262
IUPAC Name4-chloro-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene
Molecular FormulaC16H15ClN4O2
Molecular Weight330.77
XLogP2.5
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity402
SMILES
C1COCCOC2=CC(=CC(=C2)C3=C4N=C(N1)C=CN4N=C3)Cl
InChI
InChI=1S/C16H15ClN4O2/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21/h1,3,7-10H,2,4-6H2,(H,18,20)
InChIKey
KTSDBMVHAKWDRK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chloro-10,11,14,17-tetrahydro-13H-1,16-etheno-4,8-metheno-1H-pyrazolo[3,4-g][1,14,4,6]dioxadiazacyclohexadecine
CAS: 1638644-62-8
CID: 135567262
Formula: C16H15ClN4O2
MW: 330.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.77
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass330.0883534
Monoisotopic Mass330.0883534
Topological Polar Surface Area60.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity402
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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