BAY 1135626 - CAS 1404071-37-9

BAY 1135626 - CAS 1404071-37-9 Catalog number: BADC-01362

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BAY 1135626 is used to synthesize BAY 1129980. BAY 1129980 (C4.4A-ADC) is a promising therapeutic candidate for the treatment of NSCLC and other cancers expressing C4.4A.

Category
ADCs Cytotoxin
Product Name
BAY 1135626
CAS
1404071-37-9
Catalog Number
BADC-01362
Molecular Formula
C55H86N10O11
Molecular Weight
1063.33
BAY 1135626

Ordering Information

Catalog Number Size Price Quantity
BADC-01362 -- $--
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Description
BAY 1135626 is used to synthesize BAY 1129980. BAY 1129980 (C4.4A-ADC) is a promising therapeutic candidate for the treatment of NSCLC and other cancers expressing C4.4A.
Synonyms
N-(4-{2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]hydrazino}-4-oxobutyl)-N-methyl-L-valyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide
IUPAC Name
(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-[[(2S)-2-[[4-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-4-oxobutyl]-methylamino]-3-methylbutanoyl]amino]-N,3-dimethylbutanamide
Canonical SMILES
CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)CCCC(=O)NNC(=O)CCCCCN4C(=O)C=CC4=O
InChI
InChI=1S/C55H86N10O11/c1-12-35(6)50(42(75-10)31-47(70)64-29-18-22-41(64)51(76-11)36(7)53(72)58-40(52(56)71)30-37-32-57-39-21-16-15-20-38(37)39)63(9)55(74)48(33(2)3)59-54(73)49(34(4)5)62(8)27-19-24-44(67)61-60-43(66)23-14-13-17-28-65-45(68)25-26-46(65)69/h15-16,20-21,25-26,32-36,40-42,48-51,57H,12-14,17-19,22-24,27-31H2,1-11H3,(H2,56,71)(H,58,72)(H,59,73)(H,60,66)(H,61,67)/t35-,36+,40-,41-,42+,48-,49-,50-,51+/m0/s1
InChIKey
WKLHCCJTASJGSQ-LYBNSWTHSA-N
Density
1.192±0.06 g/cm3
Storage
Store at 0-4°C for short term (days to weeks) or -20°C for long term (months to years)
Boiling Point
1222.5±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: BAY 1135626
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