Anhydrotetracycline hydrochloride - Moligand™, ≥98% , CAS No.13803-65-1

CAS: 13803-65-1 Cat. No.: A276282 Molecular Weight: 462.88 EC Number: 893-173-4

GRADE & PURITY Moligand™, ≥98%

Synonyms

2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,12,12A-HEXAHYDRO-3,10,11,12A-TETRAHYDROXY-6-METHYL-1,12-DIOXO-, MONOHYDROCHLORIDE | 4-(Dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-2-naphthacenecarboxamide mono

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1, 4, 4A, 5, 12, 12A-HEXAHYDRO-3, 10, 11, 12A-TETRAHYDROXY-6-METHYL-1, 12-DIOXO-, MONOHYDROCHLORIDE | 4-(Dimethylamino)-1, 4, 4a, 5, 12, 12a-hexahydro-3, 10, 11, 12a-tetrahydroxy-6-methyl-1, 12-dioxo-2-naphthacenecarboxamide mono

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Anhydrotetracycline hydrochloride, a tetracycline biosynthetic precursor, is a potent competitive broad-spectrum tetracycline destructase enzymes inhibitor. Anhydrotetracycline hydrochloride is an effector for tetracycline controlled gene expression syste

Storage

Protected from light, Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

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

• Canonical Smiles: CC1=C2C=CC=C(C2=C(C3=C1CC4C(C(=O)C(=C(C4(C3=O)O)O)C(=O)N)N(C)C)O)O.Cl
• IUPAC Name: (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride
• InChIKey: SPFAOPCHYIJPHJ-WPJNXPDPSA-N
• INCHI: 1S/C22H22N2O7.ClH/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28;/h4-6,11,16,25-26,29,31H,7H2,1-3H3,(H2,23,30);1H/t11-,16-,22-;/m0./s1
• Isomeric SMILES: CC1=C2C=CC=C(C2=C(C3=C1C[C@H]4[C@@H](C(=O)C(=C([C@]4(C3=O)O)O)C(=O)N)N(C)C)O)O.Cl
• Molecular Weight: 462.88

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water to 25 mM
• Sensitivity: moisture & air & light sensitive
• Melt Point(°C): 223℃
• Molecular Weight: 462.900 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 462.119 Da
• Monoisotopic Mass: 462.119 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 855.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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. Shuting Hu, Guangbao Zhang, Xiaoqiang Jia.  (2023)  Improvement of a highly sensitive and specific whole-cell biosensor by adding a positive feedback amplifier.  Synthetic and Systems Biotechnology,      [PMID:37090062] [10.1016/j.synbio.2023.03.007]

2. Zhang Guangbao, Hu Shuting, Jia Xiaoqiang.  (2021)  Highly Sensitive Whole-Cell Biosensor for Cadmium Detection Based on a Negative Feedback Circuit.  Frontiers in Bioengineering and Biotechnology,      [PMID:34926437] [10.3389/fbioe.2021.799781]