Tubulysin B - CAS 205304-87-6

Tubulysin B - CAS 205304-87-6 Catalog number: BADC-00345

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Tubulysin B is a cytotoxic agent, used as the cytotoxic component in antibody-drug conjugates. It also has anti-fungal properties.

Category
ADCs Cytotoxin
Product Name
Tubulysin B
CAS
205304-87-6
Catalog Number
BADC-00345
Molecular Formula
C42H63N5O10S
Molecular Weight
830.04

Ordering Information

Catalog Number Size Price Quantity
BADC-00345 -- $--
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Description
Tubulysin B is a cytotoxic agent, used as the cytotoxic component in antibody-drug conjugates. It also has anti-fungal properties.
Synonyms
(2S,4R)-2-Methyl-4-[2-[(1R,3R)-1-acetoxy-3-[[N-[[(2R)-1-methyl-2beta-piperidinyl]carbonyl]-L-isoleucyl](butanoyloxymethyl)amino]-4-methylpentyl]thiazole-4-ylcarbonylamino]-5-(4-hydroxyphenyl)pentanoic acid;
IUPAC Name
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid
Canonical SMILES
CCCC(=O)OCN(C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=C(C=C2)O)CC(C)C(=O)O)OC(=O)C)C(C)C)C(=O)C(C(C)CC)NC(=O)C3CCCCN3C
InChI
InChI=1S/C42H63N5O10S/c1-9-13-36(50)56-24-47(41(53)37(26(5)10-2)45-39(52)33-14-11-12-19-46(33)8)34(25(3)4)22-35(57-28(7)48)40-44-32(23-58-40)38(51)43-30(20-27(6)42(54)55)21-29-15-17-31(49)18-16-29/h15-18,23,25-27,30,33-35,37,49H,9-14,19-22,24H2,1-8H3,(H,43,51)(H,45,52)(H,54,55)/t26-,27-,30+,33+,34+,35+,37-/m0/s1
InChIKey
HWCIETDQUHYHGQ-YHVCZDCZSA-N
Density
1.204±0.06 g/cm3
In Vitro
The nontargeted tubulysin B drug proved to be inactive against the LNCaP tumor model when administered at doses near to or greater than the maximum tolerated level.
In Vivo
EC0305 represents a folate-tubulysin B construct capable of specifically eradicating folate receptor (FR)-positive subcutaneous tumors from mice. EC0531 tightly binds to the FR with an affinity about half that of folic acid. It was found to specifically inhibit the growth of FR+ cells (IC50 of ~2 nM) in a dose-dependent manner. Using 3H-labeled compounds, more than a 12-fold higher amount of tubulysin was measured in a FR + human tumor xenograft compared to the unconjugated drug, a finding that explains, in part, why EC0531 displays curative activity, whereas the unconjugated tubulysin agent is essentially inactive. EC0531 was found to produce greater FR-specific anti-tumor activity at lower dose levels than EC0305; furthermore, EC0531's maximum tolerated dose level was significantly higher than that of EC0305, likely because EC0531's saccharopeptidic-based spacer allows for ~sixfold reduction in hepatic clearance.
Clinical Trial Information
NCT NumberCondition Or DiseasePhaseStart DateSponsorStatus
NCT01999738Solid TumorsPhase 12019-02-07EndocyteCompleted
Appearance
SOild Powder
Purity
≥95%
Shipping
Room temperature, or blue ice upon request.
Storage
Store at 2-8°C
Boiling Point
978.0±65.0°C at 760 mmHg

The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

Historical Records: Tubulysin B

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