Fudosteine - ≥99% , CAS No.13189-98-5

CAS: 13189-98-5 Cat. No.: F129236 Formula: C₆H₁₃NO₃S Molecular Weight: 179.24

GRADE & PURITY ≥99%

Synonyms

DS-2359 | Oprea1_041651 | Cleanal (TN) | S-(3-Hydroxypropyl)-L-cysteine | BIDD:GT0580 | CHEBI:31637 | (2R)-2-amino-3-[(3-hydroxypropyl)sulfanyl]propanoic acid | AKOS010386681 | NCGC00164556-01 | S-3-hydroxypropylcysteine | DTXCID2026440 | Astrocar | DTXSI

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

DS-2359 | Oprea1_041651 | Cleanal (TN) | S-(3-Hydroxypropyl)-L-cysteine | BIDD:GT0580 | CHEBI:31637 | (2R)-2-amino-3-[(3-hydroxypropyl)sulfanyl]propanoic acid | AKOS010386681 | NCGC00164556-01 | S-3-hydroxypropylcysteine | DTXCID2026440 | Astrocar | DTXSI

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

MUC5AC mucin hypersecretion inhibitor. Reduces MUC5AC gene expression. Reduces p-p38 MAPK and p-ERK expression. Decreases the number of goblet cells. Reduces airway hyper-responsiveness and airway inflammation in vivo. Orally active.

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.

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

≥99%

Names and Identifiers

Pubchem Sid

504757032

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757032

Canonical Smiles

C(CO)CSCC(C(=O)O)N

IUPAC Name

(2R)-2-amino-3-(3-hydroxypropylsulfanyl)propanoic acid

InChIKey

KINWYTAUPKOPCQ-YFKPBYRVSA-N

INCHI

1S/C6H13NO3S/c7-5(6(9)10)4-11-3-1-2-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1

Isomeric SMILES

C(CO)CSC[C@@H](C(=O)O)N

Molecular Weight

179.24

Reaxy-Rn

42863514

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42863514&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 Cysteine and derivatives
              • Level8 L-cysteine-S-conjugates

• 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 - Cysteine and derivatives
• Direct Parent: L-cysteine-S-conjugates
• Alternative Parents: L-alpha-amino acids Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Primary alcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: L-cysteine-s-conjugate - Alpha-amino acid - L-alpha-amino acid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Alcohol - Hydrocarbon derivative - Organic oxide - Primary amine - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as l-cysteine-s-conjugates. These are compounds containing L-cysteine where the thio-group is conjugated.
• External Descriptors: Not available

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(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

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO and Water
• Molecular Weight: 179.240 g/mol
• XLogP3: -3.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 179.062 Da
• Monoisotopic Mass: 179.062 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 120.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13189-98-5, the molecular formula is C6H13NO3S, and the molecular weight is 179.24 g/mol. InChIKey KINWYTAUPKOPCQ-YFKPBYRVSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.