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Volasertib

CAT: 0013-GTR19161568-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19161568-07Size:100 mg
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Description
Volasertib (BI 6727) is a potent, selective Polo-like kinase (PLK) inhibitor with IC50 of 0.87, 5 and 56 nM for PLK1, 2 and 3, respectively; displays no inhibitory activity against a panel of >50 other kinases; inhibits proliferation of multiple cell lines derived from various cancer tissues, including HCT116 (EC50=23 nM) and NCI-H460 (EC50=21 nM), BRO (EC50=11 nM), and hematopoietic cancer cell HL-60 (EC50=32 nM) ; demonstrates marked antitumor activity in multiple cancer models, including a model of taxane-resistant colorectal cancer.Blood Cancer Phase 3 Clinical.
CAS Number
755038-65-4
Product Name Alternative
BI 6727 | BI-6727 | BI6727
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
O=C (N[C@H]1CC[C@@H] (N2CCN (CC3CC3) CC2) CC1) C4=CC=C (NC (N=C5N (C (C) C) [C@@H]6CC) =NC=C5N (C) C6=O) C (OC) =C4
Molecular Formula
C34H50N8O3
Molecular Weight
618.8126
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Benzamide, N-[trans-4-[4- (cyclopropylmethyl) -1-piperazinyl]cyclohexyl]-4-[[ (7R) -7-ethyl-5,6,7,8-tetrahydro-5-methyl-8- (1-methylethyl) -6-oxo-2-pteridinyl]amino]-3-methoxy-

Chemical Information

Volasertib

Volasertib is a member of the class of pteridines that is (7R)-7-ethyl-5-methyl-8-(propan-2-yl)-7,8-dihydropteridin-6(5H)-one substituted by a [4-({trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}carbamoyl)-2-methoxyphenyl]amino group at position 2. It is as polo-like kinase 1 inhibitor (IC50 = 0.87 nM) with potential antineoplastic activity. It has a role as an EC 2.7.11.21 (polo kinase) inhibitor, an antineoplastic agent and an apoptosis inducer. It is a secondary carboxamide, a member of benzamides, a monomethoxybenzene, a member of piperazines, a member of pteridines, a substituted aniline, a secondary amino compound, a tertiary amino compound and a member of cyclopropanes.

CAS Number755038-65-4
PubChem CID10461508
IUPAC NameN-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-4-[[(7R)-7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxybenzamide
Molecular FormulaC34H50N8O3
Molecular Weight618.8
XLogP4.6
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count45
Formal Charge0
Complexity996
SMILES
CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C(C)C)NC3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)OC)C
InChI
InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25?,26?,28-/m1/s1
InChIKey
SXNJFOWDRLKDSF-XKHVUIRMSA-N
Chemical Structure
2D Structure
2D structure of Volasertib
CAS: 755038-65-4
CID: 10461508
Formula: C34H50N8O3
MW: 618.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight618.8
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass618.40058749
Monoisotopic Mass618.40058749
Topological Polar Surface Area106 Ų
Heavy Atom Count45
Formal Charge0
Complexity996
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
468753-01Volasertib
A8558-5.1BI6727 (Volasertib)
HY-12137A-01Volasertib (trihydrochloride)
HY-12137R-01Volasertib (Standard)
TRC-V575182-25MGVolasertib-D3

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