GRADE & PURITY 10mM in DMSO

Synonyms

46V3V5EQAM | D-chiro-Inositol,3-O-[2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-a-D-arabino-hexopyranosyl]-, monohydrochloride | AKOS037515814 | AS-13793 | D-CHIRO-INOSITOL, 3-O-(2-AMINO-4-((CARBOXYIMINOMETHYL)AMINO)-2,3,4,6-TETRADEOXY-.ALPHA.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

46V3V5EQAM | D-chiro-Inositol, 3-O-[2-amino-4-[(carboxyiminomethyl)amino]-2, 3, 4, 6-tetradeoxy-a-D-arabino-hexopyranosyl]-, monohydrochloride | AKOS037515814 | AS-13793 | D-CHIRO-INOSITOL, 3-O-(2-AMINO-4-((CARBOXYIMINOMETHYL)AMINO)-2, 3, 4, 6-TETRADEOXY-.ALPHA.

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O)O)N.Cl
• IUPAC Name: 2-amino-2-[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2S,3S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoacetic acid;hydrochloride
• InChIKey: ZDRBJJNXJOSCLR-YZKQBBCCSA-N
• INCHI: 1S/C14H25N3O9.ClH/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22;/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24);1H/t3-,4+,5+,6?,7+,8+,9-,10+,11?,14-;/m1./s1
• Isomeric SMILES: C[C@@H]1[C@H](C[C@@H]([C@H](O1)OC2[C@@H]([C@H](C([C@@H]([C@@H]2O)O)O)O)O)N)N=C(C(=O)O)N.Cl
• WGK Germany: 2
• RTECS: NM7521800
• PubChem CID: 88045
• Molecular Weight: 415.82

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Aminoglycosides
            • Level7 Aminocyclitol glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides - Aminoglycosides
• Direct Parent: Aminocyclitol glycosides
• Alternative Parents: Alpha amino acids and derivatives Cyclohexanols Oxanes Monosaccharides Cyclitols and derivatives Amino acids Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Carboxamidines Carboximidamides Carboxylic acids Hydrocarbon derivatives Hydrochlorides Carbonyl compounds Monoalkylamines Organic oxides Organopnictogen compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Amino cyclitol glycoside - Alpha-amino acid or derivatives - Cyclohexanol - Cyclitol or derivatives - Monosaccharide - Oxane - Cyclic alcohol - Amino acid - Secondary alcohol - Amino acid or derivatives - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Oxacycle - Polyol - Amidine - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Hydrochloride - Organic oxide - Primary aliphatic amine - Carbonyl group - Alcohol - Organopnictogen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines.
• 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(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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

Associated Targets(non-human)

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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

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

Discover Target: fba

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 415.820 g/mol
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 415.136 Da
• Monoisotopic Mass: 415.136 Da
• Topological Polar Surface Area: 221.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 532.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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: 2

XLogP3

References

1. Xiaodan Zheng, Menglin Wang, Shiqi Zhang, Zhima Yangcuo, Lifang He, Lingfang Xie, Yurou Ye, Guifen Xu, Zhonghui Chen, Qihong Cai.  (2024)  Development of a new synchronous fluorescence spectrometry combined with Al3+ sensitized for simultaneous and rapid determination of trace flumequine, ciprofloxacin and doxycycline hydrochloride residues in wastewater.  WATER RESEARCH,      [PMID:38908313] [10.1016/j.watres.2024.121941]

2. Aiguo Gu, Chengshuai He, Shuo Zhang, Hao Wu, Song Yang, Jie Zhou, Yunhao Gao.  (2025)  A pH-responsive multimodal antimicrobial nanosystem for plant disease control.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:41162041] [10.1016/j.pestbp.2025.106651]

3. Weiyao Yan, Yuqi Huang, Gang Tang, Xiaohong Zhang, Yulu Liu, Gaohua Hu, Guangyao Yan, Jianhua Xiao, Zhiping Zhang, Yingbin Li, Yixiang Liu, Yongsong Cao.  (2025)  A general strategy for the efficient utilization of Microbiocide by using polyacrylic acid sodium as a flexible framework material.  Journal of Advanced Research,      [PMID:40623455] [10.1016/j.jare.2025.06.081]

4. Qihong Cai, Xiaodan Zheng, Sujun Fang, Qifeng Zou, Hang Zhu, Zhima Yangcuo, Yajuan Zhang, Yong Lin, Chunyan Lian, Shiqi Zhang.  (2026)  High sensitive and simultaneous determination of chlortetracycline hydrochloride and tetracycline hydrochloride residues in water using zero-crossing first derivative synchronous fluorescence spectrometry.  PROCESS SAFETY AND ENVIRONMENTAL PROTECTION,      [PMID:] [10.1016/j.psep.2026.108431]