Anhydrotetracycline hydrochloride, Tetracycline repressor

Key facts

CAS number

13803-65-1

Purity

>98%

Form

Solid

form

Molecular weight

462.9 Da

Molecular formula

C₂₂H₂₃ClN₂O₇

PubChem

54710409

Nature

Synthetic

Solubility

Soluble in water to 25 mM

Biochemical name

Anhydrotetracycline hydrochloride

Biological description

Tetracycline repressor and reverse tetracycline repressor effector. Tetracycline (ab141223, ab146579) derivative. Tetracycline-dependent gene expression effector in bacterial expression systems. Binds poorly to the 30S ribosomal subunit. Exhibits no antibiotic activity.

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

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

InChi

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

InChiKey

SPFAOPCHYIJPHJ-WPJNXPDPSA-N

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