Cyclamic acid - Moligand™, ≥98% , Antagonist of TAS2R31;Antagonist of TAS2R43, CAS No.100-88-9, Antagonist of TAS2R31;Antagonist of TAS2R43

CAS: 100-88-9 Cat. No.: C129435 Molecular Weight: 179.24 Beilstein Registry Number: 2208885 EC Number: 202-898-1

GRADE & PURITY Moligand™, ≥98%

Synonyms

E78799 | Cyclamic acid (USAN) | Cyclohexylamide sulfate | s4015 | Cyclamsaeure | HMS3264K03 | Cyclohexylamine sulfamic acid | N-Cyclohexyl-Sulfuric acid monoamide | AB01563182_02 | CALCIUMLEVULINATE | cyclamic-acid | MFCD00065234 | CYCLAMIC ACID [MI] | Cy

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Cyclamic acid in the form of its sodium or calcium salt is one of the most widely used artificial sweeteners.
A useful biochemical reagent.

Specifications

Synonyms

E78799 | Cyclamic acid (USAN) | Cyclohexylamide sulfate | s4015 | Cyclamsaeure | HMS3264K03 | Cyclohexylamine sulfamic acid | N-Cyclohexyl-Sulfuric acid monoamide | AB01563182_02 | CALCIUMLEVULINATE | cyclamic-acid | MFCD00065234 | CYCLAMIC ACID [MI] | Cy

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

A non-nutritive sweetener.Potent TAS 1 R 3 ligand. Binds to the transmembrane domain of TAS 1 R 3 . Action is unaffected by umami compounds. Putative carcinogenic agent in vivo. Orally active.

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of TAS2R31;Antagonist of TAS2R43

Note

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751385
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751385
• Canonical Smiles: C1CCC(CC1)NS(=O)(=O)O
• IUPAC Name: cyclohexylsulfamic acid
• InChIKey: HCAJEUSONLESMK-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)
• Isomeric SMILES: C1CCC(CC1)NS(=O)(=O)O
• WGK Germany: 2
• RTECS: GV6950000
• Alternate CAS: 100-88-9
• NSC Number: 220327
• MeSH Entry Terms: Calcium Cyclamate;Cyclamate;Cyclamate Calcium (2:1) Salt;Cyclamate, Calcium;Cyclamate, Calcium (2:1) Salt, Dihydrate;Cyclamate, Potassium;Cyclamate, Sodium;Cyclamate, Sodium Salt;Cyclamates;Cyclamic Acid;Potassium Cyclamate;Sodium Cyclamate
• Molecular Weight: 179.24
• Beilstein: 2208885
• Reaxy-Rn: 2208885
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208885&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Sulfamic acid derivatives
      • Subclass Cyclamates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Sulfamic acid derivatives
• Subclass: Cyclamates
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclamates
• Alternative Parents: Sulfuric acid monoamides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclamic_acid_derivative - Sulfuric acid monoamide - Organic sulfuric acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclamates. These are compounds containing a cyclohexylsulfamic acid moiety.
• External Descriptors: sulfamic acids

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)

TAS2R43 Tchem Taste receptor type 2 member 43 (0 Activities)

Discover Target: TAS2R43

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

TAS2R31 Tchem Taste receptor type 2 member 31 (0 Activities)

Discover Target: TAS2R31

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

TAS1R2 Tbio Taste receptor type 1 member 2 (15 Activities)

Discover Target: TAS1R2

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

TAS1R3 Tbio Taste receptor type 1 member 3 (10 Activities)

Discover Target: TAS1R3

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

TAS2R31 Tchem Taste receptor type 2 member 31 (86 Activities)

Discover Target: TAS2R31

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

TAS1R3 Tbio T1R1/T1R3 (473 Activities)

Discover Target: TAS1R3

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Chrm1 Muscarinic acetylcholine receptor (3770 Activities)

Discover Target: Chrm1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 36 mg/mL Water 36 mg/mL Ethanol 36 mg/mL
• Melt Point(°C): 169 °C(dec.)
• Molecular Weight: 179.240 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 179.062 Da
• Monoisotopic Mass: 179.062 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 200.000
• 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

References

1. Zirong Li, Jiancheng Luo, Jun Wang, Yuanyuan Yu, Qiang Wang, Ping Wang.  (2023)  An eco-friendly technique for shrink-resist finishing of dyed wool via combined use of hydrolase and cyclamate.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2023.139276]

2. Li’na Qiao, Sihua Qian, Yuhui Wang, Hengwei Lin.  (2018)  A colorimetric sensor array based on sulfuric acid assisted KMnO4 fading for the detection and identification of pesticides.  TALANTA,      [PMID:29426516] [10.1016/j.talanta.2018.01.029]