TP-271 - Moligand™ , CAS No.1207284-17-0

CAS: 1207284-17-0 Cat. No.: T614510 PubChem CID: 54726193

GRADE & PURITY Moligand™

Synonyms

DB15040 | UNII-Y6IUM7395Q | TP271 | TP-271 | SCHEMBL13397803 | GTPL11013 | 1207284-17-0 | AKOS040749665 | (S)-N-((5aR,6aS,7S,10aS)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,8,10a,11-tetrahydroxy-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracen-2-yl)-1-m

Storage

Room temperature

Specifications

Synonyms

DB15040 | UNII-Y6IUM7395Q | TP271 | TP-271 | SCHEMBL13397803 | GTPL11013 | 1207284-17-0 | AKOS040749665 | (S)-N-((5aR,6aS,7S,10aS)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,8,10a,11-tetrahydroxy-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracen-2-yl)-1-m

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

Canonical Smiles

CN1CCCC1C(=O)NC2=CC(=C3CC4CC5C(C(=O)C(=C(C5(C(=O)C4=C(C3=C2O)O)O)O)C(=O)N)N(C)C)F

IUPAC Name

(2S)-N-[(5aR,6aS,7S,10aR)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-1-methylpyrrolidine-2-carboxamide

InChIKey

VIWUYPVRNWIKLS-HMFHYXQTSA-N

INCHI

1S/C27H31FN4O8/c1-31(2)19-12-8-10-7-11-13(28)9-14(30-26(39)15-5-4-6-32(15)3)20(33)17(11)21(34)16(10)23(36)27(12,40)24(37)18(22(19)35)25(29)38/h9-10,12,15,19,33-34,37,40H,4-8H2,1-3H3,(H2,29,38)(H,30,39)/t10-,12-,15-,19-,27-/m0/s1

Isomeric SMILES

CN1CCC[C@H]1C(=O)NC2=CC(=C3C[C@H]4C[C@H]5[C@@H](C(=O)C(=C([C@]5(C(=O)C4=C(C3=C2O)O)O)O)C(=O)N)N(C)C)F

Alternate CAS

1207284-17-0

PubChem CID

54726193

MeSH Entry Terms

(2S)-N-((5aR,6aS,7S,10aR)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl)-1-methylpyrrolidine-2-carboxamide;TP-271

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Tetracyclines

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Tetracyclines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracyclines
• Alternative Parents: Anthracenecarboxylic acids and derivatives Proline and derivatives Alpha amino acid amides Naphthols and derivatives Pyrrolidinecarboxamides P-fluorophenols N-arylamides Cyclohexenones Aralkylamines N-alkylpyrrolidines Aryl fluorides Vinylogous acids Tertiary alcohols Trialkylamines Secondary carboxylic acid amides Primary carboxylic acid amides Cyclic alcohols and derivatives Polyols Enols Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetracycline - Anthracene carboxylic acid or derivatives - Proline or derivatives - Alpha-amino acid amide - 1-naphthol - Naphthalene - Alpha-amino acid or derivatives - N-arylamide - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - 4-fluorophenol - Cyclohexenone - Aralkylamine - Benzenoid - N-alkylpyrrolidine - Aryl halide - Aryl fluoride - Vinylogous acid - Tertiary alcohol - Pyrrolidine - Cyclic alcohol - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Primary carboxylic acid amide - Ketone - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Polyol - Enol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups.
• 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)

Streptococcus pneumoniae (31063 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Moraxella catarrhalis (3334 Activities)

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Escherichia coli (133304 Activities)

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Haemophilus influenzae (8812 Activities)

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Streptococcus pyogenes (16140 Activities)

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Mechanisms of Action

Frequently Asked Questions

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 1207284-17-0. InChIKey VIWUYPVRNWIKLS-HMFHYXQTSA-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.