Iodoacetamide - Moligand™, Ultra pure, ≥99%(NMR) , CAS No.144-48-9

CAS: 144-48-9 Cat. No.: I131590 Summenformel: C₂H₄INO Molekulargewicht: 184.96 Beilstein Registry Number: 1739080 EG-Nummer: 205-630-1

QUALITÄT & REINHEIT Moligand™, Ultra pure, ≥99%(NMR)

Synonyms

A808220 | Iodoacetamide, >=98.0% (AT), purum | Iodoacetamide, Single use vial of 56 mg | SCHEMBL20371 | 1219802-64-8 | PGLTVOMIXTUURA-UHFFFAOYSA- | WLN: ZV1I | BDBM50376514 | GTPL6271 | IODOACETAMIDE-D4 | NCGC00015548-06 | NCGC00093954-01 | alpha-Iodoacet

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Alkylating reagent for cysteine residues in peptide sequencing.

Spezifikationen

Synonyme

A808220 | Iodoacetamide, >=98.0% (AT), purum | Iodoacetamide, Single use vial of 56 mg | SCHEMBL20371 | 1219802-64-8 | PGLTVOMIXTUURA-UHFFFAOYSA- | WLN: ZV1I | BDBM50376514 | GTPL6271 | IODOACETAMIDE-D4 | NCGC00015548-06 | NCGC00093954-01 | alpha-Iodoacet

Spezifikationen & Reinheit

Moligand™, Ultra pure, ≥99%(NMR)

Biochemische und physiologische Mechanismen

Iodoacetamide acts as an alkylating reagent for cysteine residues in peptide sequencing. It is an irreversible inhibitor of enzymes with cysteine at the active site. It reacts much more slowly with histidine residues, but that activity is responsible for

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™, Ultra pure

Hinweis

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Reinheit

≥99%(NMR)

Namen und Kennungen

Pubchem Sid

504750705

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750705

Kanonisches Lächeln

C(C(=O)N)I

IUPAC Name

2-iodoacetamide

InChIKey

PGLTVOMIXTUURA-UHFFFAOYSA-N

INCHI

1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)

Isomere SMILES

C(C(=O)N)I

WGK Deutschland

3

RTECS

AC4200000

UN-Nummer

2811

Verpackungsgruppe

III

Molekulargewicht

184.96

Beilstein

1739080

Reaxy-Rn

1739080

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739080&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Ebene5 Carboxylic acid amides
          • Ebene6 Primary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Primary carboxylic acid amides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl iodides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Primary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Carbonyl group - Alkyl iodide - Alkyl halide - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.
• External Descriptors: an iodide

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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CYP3A4 Tclin Cytochrome P450 3A4 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TRPA1 Tclin Transient receptor potential cation channel subfamily A member 1 (1 Activities)

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TYMS Tclin Thymidylate synthase (1651 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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AK2 Tbio Adenylate kinase 2 (264 Activities)

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POLB Tchem DNA polymerase beta (23632 Activities)

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GLA Tclin Alpha-galactosidase A (5444 Activities)

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ARSA Tbio Cerebroside-sulfatase (655 Activities)

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ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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F13A1 Tchem Coagulation factor XIII (223 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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USP2 Tbio Ubiquitin carboxyl-terminal hydrolase 2 (8818 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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THPO Tbio Thrombopoietin (834 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

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ATG4B Tchem Cysteine protease ATG4B (985 Activities)

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RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADH1A Tclin Alcohol dehydrogenase (35 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Rattus norvegicus (775804 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

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pfk 6-phospho-1-fructokinase (7870 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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FTL Ferritin light chain (43324 Activities)

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crtY Lycopene cyclase (9 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light & Moisture Sensitive
• Schmelzpunkt (°C): 95°C
• Molekulargewicht: 184.960 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 184.934 Da
• Monoisotopic Mass: 184.934 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 44.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1