Basic information
- CAS
72252-96-1- Standard SMILES
O=C(CI)Nc1ccc(C(=O)ON2C(=O)CCC2=O)cc1- InChIKey
BQWBEDSJTMWJAE-UHFFFAOYSA-N- Molecular formula
- C13H11IN2O5
- Average molar mass
- 402.14 g/mol
- Monoisotopic mass
- 401.97127
Names & identifiers
- Preferred name
- N-Succinimidyl-4-((iodoacetyl)amino)benzoate
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 4-[(2-iodoacetyl)amino]benzoate
- English name
- N-succinimidyl-4-((iodoacetyl)amino)benzoate
- Molecular formula
- C13H11IN2O5
- Molecular weight
- 402.14
Names & synonyms
72252-96-1N-Succinimidyl-4-((iodoacetyl)amino)benzoateSIAB2TDR5GV4XGDTXSID80222581Acetamide, N-(4-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)phenyl)-2-iodo-Acetamide, N-[4-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]phenyl]-2-iodo-RefChem:164218DTXCID101450722,5-DIOXOPYRROLIDIN-1-YL 4-(2-IODOACETAMIDO)BENZOATE(2,5-dioxopyrrolidin-1-yl) 4-[(2-iodoacetyl)amino]benzoateSIAB(N-succinimidyl (4-iodoacetyl)aminobenzoate)
Show more names
N-succinimidyl-(4-iodoacetamido)benzoateN-Succinimidyl-4-((iodoacetyl)amino)benzoate methyl ester2-(2,5-dioxopyrrolidin-1-yl)-4-[(iodoacetyl)amino]benzoate4-[(2-Iodoacetyl)aMino]benzoic Acid 2,5-dioxo-1-pyrrolidinyl EsterN-[4-[[(2,5-Dioxopyrrolidin-1-yl)oxy]carbonyl]phenyl]-2-iodoacetamideBenzoic acid, 4-[(2-iodoacetyl)amino]-, 2,5-dioxo-1-pyrrolidinyl ester
N-Succinimidyl (4-Iodoacetyl)-aminobenzoateC13H11IN2O5SCHEMBL109045orb2939609TYD-00990AKOS027327156Succinimidyl 4-(iodoacetyl)aminobenzoateDB-228972
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Melting point
- 19 · 19-7-200°C (dec.)
- Density
- 1.87 · 1.87±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Acetontrile (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 12.16 · 12.16±0.70(Predicted)
- color
- Pale Yellow
- InChI
- 1S/C13H11IN2O5/c14-7-10(17)15-9-3-1-8(2-4-9)13(20)21-16-11(18)5-6-12(16)19/h1-4H,5-7H2,(H,15,17)
- InChIKey
- BQWBEDSJTMWJAE-UHFFFAOYSA-N
- SMILES
- O=C(CCC1=O)N1OC(C2=CC=C(NC(CI)=O)C=C2)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P304+P340-P305+P351+P338-P312-P321
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
- wgk
- WGK 3
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P304+P340-P305+P351+P338-P312-P321
Chemistry & industry
Applications
UsesA sulfhydryl and amino reactive heterobifunctional protein crosslinking reagent. Spacer Arm: 10.6 Angstroms
UsesA sulfhydryl and amino reactive heterobifunctional protein crosslinking reagent. Spacer Arm: 10.6 Angstroms
General DescriptionSIAB is an amine- and sulfhydryl-reactive heterobifunctional crosslinker and Sulfo-SIAB is its water-soluble analog. These crosslinkers contain an amine-reactive N-hydroxysuccimide (NHS) ester and a sulfhydryl-reactive iodoacetyl group, and are often used for preparing enzyme conjugates or immunotoxins. Water-soluble and water-insoluble forms of NHS esters have essentially identical reactivity. Sulfo-SIAB is supplied as a sodium salt and is water-soluble to ~10mM. SIAB must be first dissolved in an organic solvent, such as DMSO or DMF, and then added to the aqueous reaction mixture. SIAB is lipophilic, membrane-permeable and does not possess a charged group.
Suppliers20 total
Aladdin Scientific[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
湖南华腾制药有限公司400-8592883 15367835770 · [email protected]
苏州美迪森诺医药科技有限公司13771642864 · [email protected]
凯试（上海）科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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