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Aniline-MPB-amino-C3-PBD

  CAS No.: 2412923-79-4   Cat No.: BADC-00826   Purity: >98.0% 4.5  

Aniline-MPB-amino-C3-PBD is a cytotoxic agent comprised of the non-alkylating group. It is a sequence-selective DNA minor-groove binding agent.

Aniline-MPB-amino-C3-PBD

Structure of 2412923-79-4

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Category
ADC Cytotoxin
Molecular Formula
C42H46N8O6
Molecular Weight
758.86
Target
DNA
Shipping
Room temperature
Shipping
Store at -20 °C, keep in dry and avoid sunlight.

* For research and manufacturing use only. We do not sell to patients.

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IUPAC Name
4-[4-[[4-[4-[[(6aS)-2-methoxy-12-oxo-6,6a,7,8,9,10-hexahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]phenyl]-N-(4-aminophenyl)-1-methylpyrrole-2-carboxamide
Canonical SMILES
CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)N)C3=CC=C(C=C3)NC(=O)C4=CC(=CN4C)NC(=O)CCCOC5=C(C=C6C(=C5)NCC7CCCCN7C6=O)OC
InChI
InChI=1S/C42H46N8O6/c1-48-24-27(19-35(48)40(52)47-30-15-11-28(43)12-16-30)26-9-13-29(14-10-26)46-41(53)36-20-31(25-49(36)2)45-39(51)8-6-18-56-38-22-34-33(21-37(38)55-3)42(54)50-17-5-4-7-32(50)23-44-34/h9-16,19-22,24-25,32,44H,4-8,17-18,23,43H2,1-3H3,(H,45,51)(H,46,53)(H,47,52)/t32-/m0/s1
Solubility
10 mm in DMSO
Appearance
Solid
Shelf Life
-20°C 3 years powder; -80°C 2 years in solvent
Shipping
Room temperature
Storage
Store at -20 °C, keep in dry and avoid sunlight.
Form
Solid
In Vitro
Aniline-MPB-amino-C3-PBD (compound 16) shows cytotoxicity with IC50s of 77, 72, 79, 184.3, 61.5, and 145.6 nM for SW48, LIM1215, SW620, U138-MG, A431, and REH cells, respectively. Aniline-MPB-amino-C3-PBD effectively stabilises DNA with a degree of sequence-specificity. Aniline-MPB-amino-C3-PBD possesses potent anti-bacterial effects against the gram negative strain E. coli K12 with potency of 2 pg/mL determined.

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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