D-Panthenol - ≥98% , CAS No.81-13-0

CAS: 81-13-0 Cat. No.: P107368 Molecular Weight: 205.25 EC Number: 201-327-3

GRADE & PURITY ≥98%

Synonyms

HSDB 296 | N-Pantoyl-propanolamine | PANTHENOL 50W | Cozyme | Dexpanthenol (USP/INN) | pantothenylol alcohol | Intrapan | PDSP1_000881 | EINECS 201-327-3 | Alcopan-250 | Dexpanthenol | DOLOBENE | Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

HSDB 296 | N-Pantoyl-propanolamine | PANTHENOL 50W | Cozyme | Dexpanthenol (USP/INN) | pantothenylol alcohol | Intrapan | PDSP1_000881 | EINECS 201-327-3 | Alcopan-250 | Dexpanthenol | DOLOBENE | Butanamide, 2, 4-dihydroxy-N-(3-hydroxypropyl)-3, 3-dimethyl-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

D-Panthenol is the alcohol analogue and biological precursor of D-pantothenic acid. These analogues are precursors in the biosynthesis of coenzyme A. D-Panthenol and D-Pantothenic acid are used in a variety of skin protection products. D-pantothenic acid

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)(CO)C(C(=O)NCCCO)O
• IUPAC Name: (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
• InChIKey: SNPLKNRPJHDVJA-ZETCQYMHSA-N
• INCHI: 1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1
• Isomeric SMILES: CC(C)(CO)[C@H](C(=O)NCCCO)O
• WGK Germany: 1
• Molecular Weight: 205.25
• Reaxy-Rn: 1724945
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1724945&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Alkanolamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Carboximidic acid - Alkanolamine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• External Descriptors: monocarboxylic acid amide - amino alcohol

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)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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

HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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Homo sapiens (32628 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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Associated Targets(non-human)

SARS-CoV-2 (38078 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Fully miscible in water and soluble in alcohol.
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.495-1.502
• Specific Rotation[α]: 31 ° (C=5, H2O)
• Boil Point(°C): 118-120°C
• Molecular Weight: 205.250 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 205.131 Da
• Monoisotopic Mass: 205.131 Da
• Topological Polar Surface Area: 89.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 182.000
• 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. Wan Caiyan, Liu Mingsheng, Tian Peixiu, Zhang Guangxian, Zhang Fengxiu.  (2019)  Renewable vitamin B5 reactive N–P flame retardant endows cotton with excellent fire resistance and durability.  CELLULOSE,  27  (3): (1745-1761).  [PMID:] [10.1007/s10570-019-02886-z]