Ivermectine - Moligand™, analytical standard , Allosteric modulator of nicotinic acetylcholine receptor α7 subunit;Allosteric modulator of P2X4;Allosteric modulator of P2X7, CAS No.70288-86-7, Allosteric modulator of nicotinic acetylcholine receptor α7 subunit;Allosteric modulator of P2X4;Allosteric modulator of P2X7

Name: Ivermectine - Moligand™, analytical standard , Allosteric modulator of nicotinic acetylcholine receptor α7 subunit;Allosteric modulator of P2X4;Allosteric modulator of P2X7, CAS No.70288-86-7, Allosteric modulator of nicotinic acetylcholine receptor α7 subunit;Allosteric modulator of P2X4;Allosteric modulator of P2X7
Brand: Aladdin Scientific
SKU: I114320
Availability: InStock

CAS: 70288-86-7 Cat. No.: I114320 분자식: C₄₈H₇₄O₁₄ 분자량: 875.09 EC 번호: 274-536-0

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Ivermectine - Moligand™, analytical standard CAS No(70288-86-7) by Aladdin Scientific

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주문 가능

등급 & 순도 Analytical standard ? Moligand™ ?

Synonyms

Storage

Store at 2-8°C

Shipped In

Wet ice

사양 이름과 식별자 고급 데이터 Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 자주 묻는 질문과 기사 Citations of This Product 솔루션 계산기 리뷰

사양

동의어

사양 및 순도

Moligand™, analytical standard

생화학 및 생리적 메커니즘

Ivermectin (22,23-dihydroavermectin B1a + 22,23-dihydroavermectin B1b) is a broad-spectrum antiparasitic avermectin medicine. Ivermectin is positive allosteric modulator of the α7 neuronal nicotinic acetylcholine receptor and the purinergic P2X4 rec

보관 조건

Store at 2-8°C

배송

Wet ice

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등급

Moligand™, 분석 표준물질

작업 유형

ALLOSTERIC MODULATOR

작동 메커니즘

Allosteric modulator of nicotinic acetylcholine receptor α7 subunit;Allosteric modulator of P2X4;Allosteric modulator of P2X7

참고

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.

이름과 식별자

정식 스마일

CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C

IUPAC Name

(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one

InChIKey

AZSNMRSAGSSBNP-XPNPUAGNSA-N

INCHI

1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1

이성체 SMILES

CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C

WGK 독일

분자량

875.09

Reaxy-Rn

29304044

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29304044&ln=

고급 데이터

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	O-glycosyl compounds Disaccharides Ketals Oxanes Tetrahydrofurans Tertiary alcohols Secondary alcohols Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Milbemycin - Disaccharide - Glycosyl compound - O-glycosyl compound - Ketal - Oxane - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Lactone - Secondary alcohol - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organooxygen 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	macrocyclic lactone
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

3D 구조

관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Plasmodium falciparum (966862 Activities)

분자량	875.100 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	8
Exact Mass	874.508 Da
Monoisotopic Mass	874.508 Da
Topological Polar Surface Area	170.000 Å²
Heavy Atom Count	62
Formal Charge	0
Complexity	1680.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	20
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	3
Covalently-Bonded Unit Count	1

사양

고급 데이터

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