Bizelesin

CAT: 0931-T71034-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T71034-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

129655-21-6

Target

Others, DNA Alkylator/Crosslinker

Related Pathways

DNA Damage/DNA Repair, Others

Bioactivity

Bizelesin is a synthetic cyclopropylpyrroloindole antineoplastic antibiotic. Bizelesin binds to the minor groove of DNA and induces interstrand cross-linking of DNA, thereby inhibiting DNA replication and RNA synthesis. Bizelesin also enhances p53 and p21 induction and triggers G2/M cell-cycle arrest, resulting in cell senescence without apoptosis.

Smiles

C(Cl)[C@H]1C2=C(N(C(=O)C3=CC=4C(N3)=CC=C(NC(NC=5C=C6C(=CC5)NC(C(=O)N7C8=C([C@H](CCl)C7)C9=C(C(O)=C8)NC=C9C)=C6)=O)C4)C1)C=C(O)C%10=C2C(C)=CN%10

Molecular Formula

C43H36Cl2N8O5

Molecular Weight

815.7

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Bizelesin

Bizelesin has been used in trials studying the treatment of Unspecified Adult Solid Tumor, Protocol Specific.

CAS Number	129655-21-6
PubChem CID	60794
IUPAC Name	1,3-bis[2-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]urea
Molecular Formula	C43H36Cl2N8O5
Molecular Weight	815.7
XLogP	6.5
Topological Polar Surface Area	185
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	58
Formal Charge	0
Complexity	1470

SMILES

CC1=CNC2=C(C=C3C(=C12)[C@@H](CN3C(=O)C4=CC5=C(N4)C=CC(=C5)NC(=O)NC6=CC7=C(C=C6)NC(=C7)C(=O)N8C[C@H](C9=C1C(=CNC1=C(C=C98)O)C)CCl)CCl)O

InChI

InChI=1S/C43H36Cl2N8O5/c1-19-15-46-39-33(54)11-31-37(35(19)39)23(13-44)17-52(31)41(56)29-9-21-7-25(3-5-27(21)50-29)48-43(58)49-26-4-6-28-22(8-26)10-30(51-28)42(57)53-18-24(14-45)38-32(53)12-34(55)40-36(38)20(2)16-47-40/h3-12,15-16,23-24,46-47,50-51,54-55H,13-14,17-18H2,1-2H3,(H2,48,49,58)/t23-,24-/m1/s1

InChIKey

FONKWHRXTPJODV-DNQXCXABSA-N

Chemical Structure

2D Structure

CAS: 129655-21-6

CID: 60794

Formula: C43H36Cl2N8O5

MW: 815.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	815.7
XLogP3	6.5
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	814.2185717
Monoisotopic Mass	814.2185717
Topological Polar Surface Area	185 Å²
Heavy Atom Count	58
Formal Charge	0
Complexity	1470
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5813575	Bizelesin

Bizelesin

Chemical Information

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