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Angiogenesis inhibitor 3

CAT: 0804-HY-147891Size: 1 EachDry Ice: NoHazardous: No
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Description
Angiogenesis inhibitor 3 (compound 8) is a potent angiogenesis inhibitor. Angiogenesis inhibitor 3 inhibits the proliferation of HUVEC and HCT-15 cells, with IC50 values of 1.00 and 0.71 μM. Angiogenesis inhibitor 3 induces the apoptosis of HUVEC and HCT-15 cells. Angiogenesis inhibitor 3 shows anticancer activity, and suppresses the invasion of cancer cells. Angiogenesis inhibitor 3 inhibits the angiogenesis in zebrafish embryos[1].
CAS Number
2507759-39-7
UNSPSC
12352005
Target
Apoptosis
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/angiogenesis-inhibitor-3.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC=CC=C1)OC2=C3C4=C(C(Br)=C2OC)CCN(C)[C@@]4([H])CC5=C(C=C(C(OC6=CC=C(C[C@@]7([H])C8=CC(O3)=C(C=C8CCN7C)OC)C=C6)=C5)OC)[N+]([O-])=O
Molecular Formula
C44H42BrN3O9
Molecular Weight
836.72
References & Citations
[1]Zhang RH, et al. Discovery of tetrandrine derivatives as tumor migration, invasion and angiogenesis inhibitors. Bioorg Chem. 2020 Aug;101:104025.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Angiogenesis inhibitor 3
CAS Number2507759-39-7
PubChem CID164517120
IUPAC Name[(1S,14S)-19-bromo-9,20,25-trimethoxy-15,30-dimethyl-11-nitro-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-dodecaen-21-yl] benzoate
Molecular FormulaC44H42BrN3O9
Molecular Weight836.7
XLogP8.6
Topological Polar Surface Area125
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count57
Formal Charge0
Complexity1360
SMILES
CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=C(C(=C5)C[C@H]6C7=C(CCN6C)C(=C(C(=C7O3)OC(=O)C8=CC=CC=C8)OC)Br)[N+](=O)[O-])OC)OC
InChI
InChI=1S/C44H42BrN3O9/c1-46-17-15-27-21-35(52-3)38-23-31(27)33(46)19-25-11-13-29(14-12-25)55-37-22-28(32(48(50)51)24-36(37)53-4)20-34-39-30(16-18-47(34)2)40(45)42(54-5)43(41(39)56-38)57-44(49)26-9-7-6-8-10-26/h6-14,21-24,33-34H,15-20H2,1-5H3/t33-,34-/m0/s1
InChIKey
MLOAMUYYMSJIRP-HEVIKAOCSA-N
Chemical Structure
2D Structure
2D structure of Angiogenesis inhibitor 3
CAS: 2507759-39-7
CID: 164517120
Formula: C44H42BrN3O9
MW: 836.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight836.7
XLogP38.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass835.21044
Monoisotopic Mass835.21044
Topological Polar Surface Area125 Ų
Heavy Atom Count57
Formal Charge0
Complexity1360
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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