Basic information
- CAS
756487-18-0- Standard SMILES
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)Nc1ccc(CO)cc1- InChIKey
TUPIPBYBJMCLLM-KYJUHHDHSA-N- Molecular formula
- C37H49N5O8
- Average molar mass
- 691.8 g/mol
Names & identifiers
- Preferred name
- Mc-Phe-Lys(Boc)-PAB
- IUPAC
- tert-butyl N-[(5S)-5-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-phenylpropanoyl]amino]-6-[4-(hydroxymethyl)anilino]-6-oxohexyl]carbamate
- English name
- Mc-Phe-Lys(Boc)-PAB
- Molecular formula
- C37H49N5O8
- Molecular weight
- 691.82
Names & synonyms
Mc-Phe-Lys(Boc)-PAB756487-18-0TKN87180tert-Butyl ((S)-5-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-phenylpropanamido)-6-((4-(hydroxymethyl)phenyl)amino)-6-oxohexyl)carbamatetert-butyl N-[(5S)-5-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-phenylpropanoyl]amino]-6-[4-(hydroxymethyl)anilino]-6-oxohexyl]carbamateMFCD34186949orb2663854C37H49N5O8Maleimidocaproyl-Phe-Lys(Boc)-PABEX-A5033HY-W591438BP-28423
Show more names
L-Lysinamide, N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-phenylalanyl-N6-[(1,1-dimethylethoxy)carbonyl]-N-[4-(hydroxymethyl)phenyl]- (9CI)
BS-47771DA-78496SY398547CS-0650616F76945T89687F868254(S)-6-(Boc-amino)-2-[(S)-2-[6-(2,5-dioxo-2,5-dihydro-1-pyrrolyl)hexanamido]-3-phenylpropanamido]-N-[4-(hydroxymethyl)phenyl]hexanamide
Database identifiers
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 21
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,150
Physicochemical properties
- Boiling point
- 984.2 · 984.2±65.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- pka
- 12.87 · 12.87±0.46(Predicted)
- form
- Solid
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
DescriptionTKN87180 is a Hydrolyzable linker for making ADC conjugate. TKN87180 was first reported in Bioorganic & Medicinal Chemistry Letters (2004), 14(16), 4323-4327. This product has no formal name at the moment.
UsesMc-Phe-Lys(Boc)-PAB is an ADC linker[1].
Suppliers28 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
InvivoChem中国13549236410 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
武汉翱联生物科技有限公司15841022315 15841022315 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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