Resiniferatoxin (HCID 5702546)

개요

Resiniferatoxin is a heteropentacyclic compound found in Euphorbia poissonii with molecular formula C37H40O9. It is an agonist of the transient receptor potential cation channel subfamily V member 1 (TrpV1). It has a role as a TRPV1 agonist, an analgesic, a neurotoxin and a plant metabolite. It is a tertiary alpha-hydroxy ketone, a diterpenoid, a monomethoxybenzene, a carboxylic ester, a member of phenols, an organic heteropentacyclic compound, an enone and an ortho ester.

이름 및 식별자

우선 이름: Resiniferatoxin
IUPAC: [(1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate
현지명: 레지니페라톡신
영어명: RESINIFERATOXIN
분자식: C37H40O9
분자량: 628.71

이름 및 동의어

Resiniferatoxin57444-62-9ReciniferatoxinLopain(+)-resiniferatoxinRTX diterpeneMtx-071NeuroclastinA5O6P1UL4IMTX-71DTXSID00894764CHEBI:8809

이름 더 보기

레지니페라톡신RTX[3H]resiniferatoxinResiniferatoxin >99%Resiniferatoxin (80%)Resiniferatoxin, 98.5%RESINIFERATOXIN,HIGHPURITYDSDNAKHZNJAGHN-IHCAYWNCSA-NRESINIFERATOXIN, 99%, HIGH PURITYRESINIFERATOXIN,EUPHORBIA POISONII

[(1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate6,7-Deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)daphnetoxin 20-(3-hydroxy-5-methoxybenzeneacetate)Benzeneacetic acid, 4-hydroxy-3-methoxy-, ((2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno(5,4-e)-1,3-benzodioxol-5-yl)methyl ester((1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo(11.4.1.01,10.02,6.011,15)octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxy-3-methoxyphenyl)acetateRefChem:879415DTXCID501324327((1R,2R,6R,10S,11R,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-(prop-1-en-2-yl)-12,14,18-trioxapentacyclo(11.4.1.01,10.02,6.011,15)octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxy-3-methoxyphenyl)acetate((1R,2R,6R,10S,11R,15S,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo(11.4.1.01,10.02,6.011,15)octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxy-3-methoxyphenyl)acetate

데이터베이스 식별자

CAS: 57444-62-9
PubChem CID: 5702546
DTXSID: DTXSID00894764
ChEMBL: CHEMBL17976
ChEBI: CHEBI:8809
UNII: A5O6P1UL4I
EC Number: 637-354-6
Nikkaji: J282.917G

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 121 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 9
회전 가능 결합 수: 9
무거운 원자 수: 46
형식 전하: 0
복잡도: 1,330

물리화학적 성질

끓는 점: 768.7 · 768.7±60.0 °C(Predicted)
밀도: 1.35 · 1.35±0.1 g/cm3(Predicted)
저장 조건: -20 °C · -20°C
용해도: 100 mM, · DMSO에서 100mM, 에탄올에서 50mM까지 용해 가능
물리적 상태: 고체
산도 계수 (pKa): 9.85 · 9.85±0.20(Predicted)
색상: 흰색에서 황백색까지
생물학적 소스: Euphorbia poisonii
BRN: 5371150 · 5371150
안정성: 2 · 제공된 대로 구매일로부터 2년 동안 안정적입니다. DMSO 또는 에탄올 용액은 -20°C에서 최대 1개월 동안 보관할 수 있습니다.
InChIKey: DSDNAKHZNJAGHN-MXTYGGKSSA-N
SMILES: C1(CC(OCC2C[C@@]3(O)[C@]([H])([C@]45O[C@]6(CC7=CC=CC=C7)O[C@]([H])([C@]4([H])C=2)[C@](C(C)=C)(C[C@H]5C)O6)C=C(C)C3=O)=O)=CC=C(O)C(OC)=C1

화학적 성질

white to off-white solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

독성 정보

Health EffectsResiniferatoxin is a neurotoxin that targets afferent sensory neurons involved in nociception. It evokes a powerful irritant effect followed by desensitization and analgesia. (L1244)

Exposure RoutesOral (ingestion) (L1817) ; dermal (L1817)

Toxicity Summary · 1건

Resiniferatoxin activates the vanilloid receptor in a subpopulation of primary afferent sensory neurons involved in nociception (the transmission of physiological pain). RTX causes a novel ion channel in the plasma membrane of sensory neurons, the transient receptor potential vanilloid 1, to become permeable to cations, most particularly the calcium cation. This evokes a powerful irritant effect followed by desensitization and analgesia. (L1244)

Signs and SymptomsResiniferatoxin evokes a powerful irritant effect followed by desensitization and analgesia. (L1244)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

wgk: 3
rtecs: CY1633700
ridadr: UN 2928 6.1/PG 2
HS 번호: 29329990
risk_code: 25-35
hazard_code: T
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 6.1(a)
F 고인화성물질: 10-23
Hazard Classifications: Acute Tox. 3 OralSkin Corr. 1A
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

Uses · 1건

Resiniferatoxin (RTX) is a plant toxin and ultrapotent capsaicin analog that occurs in various species of plants, such as resin spurge (Euphorbia resinifera). (L1244) Investigated for use/treatment in interstitial cystitis and urinary incontinence.

응용 분야 · 1건

용도Resiniferatoxin has been used as an agonist to transient receptor potential vanilloid 2 (TRPV2): for complex preparation for cryo-electron microscopy structural studies to test its effect towards immune responses toP.aeruginosa in sensory neurons associated with the cornea to study its effects in the denervation of the peripheral sensory nerves in psoriatic mice

상·하류 제품 정보

상류 원료

Benzeneacetic acid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-methoxy-Homovanillic acid

공급사50 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]

成都健腾生物技术有限公司028-85159085 · [email protected]

연결된 노트

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레지니페라톡신

기본 정보

개요