(2S)-p-SCN-Bn-NOTA - CAS 1206475-68-4
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(2S)-p-SCN-Bn-NOTA - CAS 1206475-68-4 Catalog number: BADC-01429

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(2S)-p-SCN-Bn-NOTA is an ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

Category
ADCs Linker
Product Name
(2S)-p-SCN-Bn-NOTA
CAS
1206475-68-4
Catalog Number
BADC-01429
Molecular Formula
C20H26N4O6S
Molecular Weight
450.51
(2S)-p-SCN-Bn-NOTA

Ordering Information

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BADC-01429 -- $--
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Description
(2S)-p-SCN-Bn-NOTA is an ADC linker used in the synthesis of antibody-drug conjugates (ADCs).
Synonyms
1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-2-[(4-isothiocyanatophenyl)methyl]-, (2S)-; (S)-2,2',2''-(2-(4-isothiocyanatobenzyl)-1,4,7-triazonane-1,4,7-triyl)triacetic acid; (2S)-Hexahydro-2-[(4-isothiocyanatophenyl)methyl]-1H-1,4,7-triazonine-1,4,7-triacetic acid; BNOTA; p-SCN-Bn-NOTA; S-2-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid; (2S)-2-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid; (S)-2-(4-isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid
IUPAC Name
2-[(5S)-4,7-bis(carboxymethyl)-5-[(4-isothiocyanatophenyl)methyl]-1,4,7-triazonan-1-yl]acetic acid
Canonical SMILES
C1CN(CC(N(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)O
InChI
InChI=1S/C20H26N4O6S/c25-18(26)11-22-5-6-23(12-19(27)28)10-17(24(8-7-22)13-20(29)30)9-15-1-3-16(4-2-15)21-14-31/h1-4,17H,5-13H2,(H,25,26)(H,27,28)(H,29,30)/t17-/m0/s1
InChIKey
ABEIJMWLNYUWMD-KRWDZBQOSA-N
Density
1.37±0.1 g/cm3
Boiling Point
716.5±60.0°C at 760 mmHg
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

Calculate

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Historical Records: (2S)-p-SCN-Bn-NOTA
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