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Angiogenesis inhibitor 2

CAT: 0804-HY-147890Size: 1 EachDry Ice: NoHazardous: No
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Description
Angiogenesis inhibitor 2 (compound 72) is a potent angiogenesis inhibitor. Angiogenesis inhibitor 2 inhibits the proliferation of HUVEC and HCT-15 cells, with IC50 values of 1.93 and 0.21 μM. Angiogenesis inhibitor 2 induces the apoptosis of HUVEC and HCT-15 cells. Angiogenesis inhibitor 2 shows anticancer activity, and suppresses the invasion of cancer cells. Angiogenesis inhibitor 2 inhibits the angiogenesis in zebrafish embryos[1].
CAS Number
2151067-32-0
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-2.html
Solubility
10 mM in DMSO
Smiles
COC1=C2C3=C(C=C1OC)CCN(C)[C@@]3([H])CC4=C(C=C(C(OC5=CC=C(C[C@@]6([H])C7=CC(O2)=C(C=C7CCN6C)OC)C=C5)=C4)OC)NC(NC(C)C)=S
Molecular Formula
C42H50N4O6S
Molecular Weight
738.93
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 2
CAS Number2151067-32-0
PubChem CID145959632
IUPAC Name1-propan-2-yl-3-[(1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-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),18,20,22(33),24,26,31-dodecaen-11-yl]thiourea
Molecular FormulaC42H50N4O6S
Molecular Weight738.9
XLogP7.1
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count53
Formal Charge0
Complexity1190
SMILES
CC(C)NC(=S)NC1=CC(=C2C=C1C[C@H]3C4=C(C(=C(C=C4CCN3C)OC)OC)OC5=C(C=C6CCN([C@H](C6=C5)CC7=CC=C(O2)C=C7)C)OC)OC
InChI
InChI=1S/C42H50N4O6S/c1-24(2)43-42(53)44-31-23-35(48-6)36-21-28(31)18-33-39-27(14-16-46(33)4)20-38(49-7)40(50-8)41(39)52-37-22-30-26(19-34(37)47-5)13-15-45(3)32(30)17-25-9-11-29(51-36)12-10-25/h9-12,19-24,32-33H,13-18H2,1-8H3,(H2,43,44,53)/t32-,33-/m0/s1
InChIKey
NPZJRLMTONONRX-LQJZCPKCSA-N
Chemical Structure
2D Structure
2D structure of Angiogenesis inhibitor 2
CAS: 2151067-32-0
CID: 145959632
Formula: C42H50N4O6S
MW: 738.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight738.9
XLogP37.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass738.34510650
Monoisotopic Mass738.34510650
Topological Polar Surface Area118 Ų
Heavy Atom Count53
Formal Charge0
Complexity1190
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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