Moxidectin - 10mM in DMSO , CAS No.113507-06-5

CAS: 113507-06-5 Cat. No.: M420681 분자식: C₃₇H₅₃NO₈ 분자량: 639.82 EC 번호: 635-129-7

GRADE & PURITY 10mM in DMSO

Synonyms

Moxidectin|113507-06-5|ProHeart 6|Moxidectina|Moxidectine|Moxidectinum|UNII-NGU5H31YO9|NGU5H31YO9|Moxidectine [INN-French]|Moxidectinum [INN-Latin]|Moxidectina [INN-Spanish]|NSC-760424|CL 301,423|CL-301,423|DTXSID5037577|ADVOCATE COMPONENT MOXIDECTIN|NSC

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

동의어

Moxidectin | 113507-06-5 | ProHeart 6 | Moxidectina | Moxidectine | Moxidectinum | UNII-NGU5H31YO9 | NGU5H31YO9 | Moxidectine [INN-French] | Moxidectinum [INN-Latin] | Moxidectina [INN-Spanish] | NSC-760424 | CL 301,423 | CL-301,423 | DTXSID5037577 | ADVOCATE COMPONENT MOXIDECTIN | NSC

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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제품 특성

• ALogP: 4.3

이름과 식별자

• Pubchem Sid: 528775497
• 정식 스마일: CC1CC(=CCC2CC(CC3(O2)CC(=NOC)C(C(O3)C(=CC(C)C)C)C)OC(=O)C4C=C(C(C5C4(C(=CC=C1)CO5)O)O)C)C
• IUPAC Name: (1R,4S,4'E,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
• InChIKey: YZBLFMPOMVTDJY-LSGXYNIPSA-N
• INCHI: 1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1
• 이성체 SMILES: C[C@@H]\1C/C(=C/C[C@@H]2C[C@@H](C[C@@]3(O2)C/C(=N\OC)/[C@@H]([C@H](O3)/C(=C/C(C)C)/C)C)OC(=O)[C@@H]4C=C([C@H]([C@@H]5[C@]4(/C(=C/C=C1)/CO5)O)O)C)/C
• 분자량: 639.82
• Reaxy-Rn: 37811529
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37811529&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Macrolides and analogues
      • Subclass Milbemycins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Macrolides and analogues
• Subclass: Milbemycins
• Intermediate Tree Nodes: Not available
• Direct Parent: Milbemycins
• Alternative Parents: Ketals Oxanes Tetrahydrofurans Tertiary alcohols Secondary alcohols Oxime ethers Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Milbemycin - Ketal - Oxane - Tertiary alcohol - Tetrahydrofuran - Carboxylic acid ester - Lactone - Oxime ether - Secondary alcohol - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Alcohol - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as milbemycins. These are a group of macrolides with a structure containing a 16-membered lactone ring fused to a 1,7-dioxaspiroundecane ring system and to either a benzofuran (or hydrogenated derivative thereof). In some cases (e.g. Milbemycin E), the tetrahydrofuranyl ring is missing. Milbemycins can be o-glycosylated at C13 to form Avermectins. Milbemycins are produced by Streptomyces species.
• 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

관련 대상(비인간)

Haemonchus contortus (724 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 감도: heat sensitive
• 특정 회전[α]: 140° (C=1,CHCl₃)
• 녹는점(°C): 132 °C
• 분자량: 639.800 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 639.377 Da
• Monoisotopic Mass: 639.377 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 1340.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 5
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 5
• Covalently-Bonded Unit Count: 1

참고 문헌

1. Jiawen Ji, Siyue Zhu, Xinping Hu, Jianhui Zhu, Sen Pang, Yongqiang Ma, Xuefeng Li.  (2025)  Enhanced residual risk of abamectin induced by 6PPD: in water, soil, and vegetables.  Environmental Science-Processes & Impacts,      [PMID:40099488] [10.1039/D5EM00053J]