TAME - ≥99% , CAS No.901-47-3

CAS: 901-47-3 Cat. No.: T126267 Molecular Weight: 342.41

GRADE & PURITY ≥99%

Synonyms

AKOS030214485 | CCG-264948 | Q27131658 | BCPP000052 | 1H7BKF44U1 | Methyl P-toluenesulfonyl-L-argininate | s2225 | FKMJXALNHKIDOD-LBPRGKRZSA-N | HY-13255 | BDBM50070707 | SCHEMBL324561 | Tame | ARGININE, N2-(P-TOLYLSULFONYL)-, METHYL ESTER, L- | N(alpha)-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS030214485 | CCG-264948 | Q27131658 | BCPP000052 | 1H7BKF44U1 | Methyl P-toluenesulfonyl-L-argininate | s2225 | FKMJXALNHKIDOD-LBPRGKRZSA-N | HY-13255 | BDBM50070707 | SCHEMBL324561 | Tame | ARGININE, N2-(P-TOLYLSULFONYL)-, METHYL ESTER, L- | N(alpha)-

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

TAME is a small molecule anaphase-promoting complex/cyclosome (APC) inhibitor with an IC50 of 12 μM.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504760596
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760596
• Canonical Smiles: CC1=CC=C(C=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)OC
• IUPAC Name: methyl (2S)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoate
• InChIKey: FKMJXALNHKIDOD-LBPRGKRZSA-N
• INCHI: 1S/C14H22N4O4S/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17)/t12-/m0/s1
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)OC
• Molecular Weight: 342.41
• Reaxy-Rn: 26018177
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26018177&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: P-toluenesulfonamides Benzenesulfonamides Benzenesulfonyl compounds Fatty acid esters Organosulfonamides Methyl esters Aminosulfonyl compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboximidamides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - P-toluenesulfonamide - Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Fatty acid ester - Toluene - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Fatty acyl - Methyl ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Carboxylic acid ester - Guanidine - Carboximidamide - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• External Descriptors: sulfonamide - guanidines - methyl ester - L-arginine ester

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

Associated Targets(Human)

F2 Tclin Thrombin (11687 Activities)

Discover Target: F2

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 69 mg/mL Water 69 mg/mL Ethanol 3 mg/mL
• Molecular Weight: 342.420 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 342.136 Da
• Monoisotopic Mass: 342.136 Da
• Topological Polar Surface Area: 145.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 503.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

References

1. Yiyang Chen, Hao Ren, Xiangyu Kong, Hao Wu, Zhenmei Lu.  (2023)  A multicomponent propane monooxygenase catalyzes the initial degradation of methyl tert-butyl ether in Mycobacterium vaccae JOB5.  APPLIED AND ENVIRONMENTAL MICROBIOLOGY,      [PMID:37823642] [10.1128/aem.01187-23]

2. Yejun Zhong, Lei Yang, Ziyi Zhu, Hongyu Chen, Chengmei Liu, Taotao Dai, Er Sheng Gong.  (2022)  Protective effect of ovalbumin-flavonoid hydrogel on thrombolytic activity and stability of nattokinase.  FOOD RESEARCH INTERNATIONAL,      [PMID:35651046] [10.1016/j.foodres.2022.111188]

3. Liu Ting, Chen Xiaopeng, Xing Jinfeng, Ge Zhiqiang.  (2018)  Effects of acetazolamide on the conformations and activities of digestive enzymes: pepsin and trypsin.  MEDICINAL CHEMISTRY RESEARCH,  27  (5): (1549-1557).  [PMID:] [10.1007/s00044-018-2172-2]

4. Xiong Zheng, Ying Zhang, Maogang He.  (2015)  Speed of sound measurement in ethyl tert-butyl ether and tert-amyl methyl ether by Brillouin light scattering.  FLUID PHASE EQUILIBRIA,      [PMID:] [10.1016/j.fluid.2015.10.026]