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Paspalitrem A

HCID 10028978
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
63722-90-7
표준 SMILES
CC(C)=CCc1ccc2[nH]c3c(c2c1)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H]5O[C@@]4(CC[C@]2(C)[C@@]31C)OC5(C)C
InChIKey
WCISYVSWAOUFIY-TZHHUJIHSA-N
분자식
C32H39NO4
평균 분자량
501.7 g/mol
단동위원소 질량
501.28790873

개요

Paspalitrem A is an organic heterotricyclic compound and an organooxygen compound.

이름 및 식별자

우선 이름
Paspalitrem A
IUPAC
(1S,4R,5S,16S,19S,23R)-19-hydroxy-4,5,24,24-tetramethyl-11-(3-methylbut-2-enyl)-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8(13),9,11,20-pentaen-22-one

이름 및 동의어

Paspalitrem AY875DQ8L6K(1S,4R,5S,16S,19S,23R)-19-hydroxy-4,5,24,24-tetramethyl-11-(3-methylbut-2-enyl)-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8(13),9,11,20-pentaen-22-one(3R,5BS,7AS,13BS,13CR,15AS)-5B-HYDROXY-2,2,13B,13C-TETRAMETHYL-10-(3-METHYLBUT-2-EN-1-YL)-2,3,5B,6,7,7A,8,13,13B,13C,14,15-DODECAHYDRO-4H-3,15A-EPOXYOXEPINO(2'',3'':5',6')BENZO(1',2':6,7)INDENO(1,2-B)INDOL-4-ONE4H-3,15A-EPOXY-1-BENZOXEPINO(6',7':6,7)INDENO(1,2-B)INDOL-4-ONE, 2,3,5B,6,7,7A,8,13,13B,13C,14,15-DODECAHYDRO-5B-HYDROXY-2,2,13B,13C-TETRAMETHYL-10-(3-METHYL-2-BUTEN-1-YL)-, (3R,5BS,7AS,13BS,13CR,15AS)-63722-90-7(1S,4R,5S,16S,19S,23R)-19-hydroxy-4,5,24,24-tetramethyl-11-(3-methylbut-2-enyl)-25,26-dioxa-7-azaheptacyclo(21.2.1.01,20.04,19.05,16.06,14.08,13)hexacosa-6(14),8(13),9,11,20-pentaen-22-one19-hydroxy-4,5,24,24-tetramethyl-11-(3-methylbut-2-en-1-yl)-25,26-dioxa-7-azaheptacyclo(21.2.1.01,20.04,19.05,16.06,14.08,13)hexacosa-6(14),8(13),9,11,20-pentaen-22-one19-hydroxy-4,5,24,24-tetramethyl-11-(3-methylbut-2-en-1-yl)-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8(13),9,11,20-pentaen-22-oneRefChem:170147CHEMBL4555220

물성

구조 계산 물성

XLogP
5.1
극성 표면적
71.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
37
형식 전하
0
복잡도
1,090

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

독성 정보

Treatment · 1건

To control severe tremors caused by tremorgenic mycotoxins, methocarbamol should be administered. Generalized seizures may be treated with diazepam followed by methocarbamol or a barbiturate such as pentobarbital sodium. Gastric lavage should be performed and activated charcoal administered to limit further absorption of toxins. (A744)

Health EffectsTremorgenic mycotoxins affect central nervous system activity. They cause a neurological disease of cattle known as "staggers syndrome". (A2976)
Exposure RoutesOral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)
Toxicity Summary · 1건

Tremorgenic mycotoxins exert their toxic effects by interfering with neurotransmitter release, possibly by causing degeneration of nerve terminals. They are thought to inhibit gamma-aminobutyric acid (GABA) receptors, both pre- and postsynaptic, as well as inhibit transmitter breakdown at the GABA-T receptors. This would initially increase neurotransmitter levels, potentiating the GABA-induced chloride current, then lead to decreased levels of neurotransmitter in the synapse. In addition, paspalitrem A inhibits presynaptic high-conductance Ca+2 activated maxi-K+ channels in the smooth muscle. (A2976, A2993)

Signs and Symptoms · 1건

Tremorgenic mycotoxins affect central nervous system activity, inducing neurologic symptoms including mental confusion, paralysis, tremors, seizures, and death. They cause a neurological disease of cattle known as "staggers syndrome", which is characterized by muscle tremors, hyperexcitability, convulsions and ataxia. (A2976)

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

화학 및 산업

용도 및 제조

UsesPaspalitrem A is a tremorgenic mycotoxin that has been found in fungi of the genera Penicillium and Aspergillus. It may be found in contaminated cereal crops such as oats, barley, millet, corn and rice. (A2976)

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CHEBI:210797

데이터베이스 식별자

CAS
63722-90-7
PubChem CID
10028978
ChEMBL
CHEMBL4555220
ChEBI
CHEBI:210797
UNII
Y875DQ8L6K
Nikkaji
J2.411.020F