푸사릭산

푸사릭산 · Fusaric · NSC 135043 · FURASIC ACID · Fusaric acid · fusarinicacid · Fusarinic acid · FUSARIC ACID 99%

식별자 및 물리적 특성

CAS No.	536-69-6
분자식	C10H13NO2
평균 분자량	179.22 g/mol
단동위원소 질량	179.09462866 g/mol
SMILES	CCCCc1ccc(C(=O)O)nc1
InChIKey	DGMPVYSXXIOGJY-UHFFFAOYSA-N
PubChem CID	3442
ChEMBL	CHEMBL24510
ChEBI	CHEBI:5199
EC No.	208-643-0
DTXSID	DTXSID5023085
현지명	푸사릭산

화학 및 물리적 성질

XLogP	2.6
극성 표면적	50.2
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	4
무거운 원자 수	13
형식 전하	0
복잡도	170
Color/Form	COLORLESS CRYSTALS
녹는점	96-98 °C96-100 °C
끓는 점	311.75°C (rough estimate)
밀도	1.1248 (rough estimate)
굴절률	1.5710 (estimate)
저장 조건	Inert atmosphere,Store in freezer, under -20°C
용해도	에탄올: 50mg/mL, 투명하고 희미한 노란색
물리적 상태	결정성 분말
pKa(산도 계수)	1.11±0.50(Predicted)
색상	황백색에서 희미한 노란색까지
Merck	14,4314
BRN	125804
InChI	1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)
InChIKey	DGMPVYSXXIOGJY-UHFFFAOYSA-N
SMILES	CCCCc1ccc(nc1)C(O)=O
LogP(분배 계수)	1.960 (est)
EPA	2-Pyridinecarboxylic acid, 5-butyl- (536-69-6)

화학적 성질

off-white to faint yellowish crystalline powder

안전 및 규제

GHS 분류	WarningH302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 69 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Special Reports	A REVIEW WITH 28 REFERENCES OF THE ROLE OF FUSARIC ACID AS A PLANT TOXIN.[KALYANASUNDARAM RMODE OF ACTION OF FUSARIC ACIDPLANT DIS PROBL PROC INT SYMP 1ST: 142 (1970)]
Hazard Classes and Categories	Acute Tox. 4 (98.6%)
Treatment	Natamycin ophthalmic suspension is the drug of choice for filamentous fungal infections such as mycotic keratitis. (L1964)
상호 작용	WHEN FUSARIC ACID (100 MG/KG, IP) WAS ADMIN TO MALE MICE 6 HR AFTER ALCOHOL WITHDRAWAL, BRAIN NORADRENALINE, DOPAMINE, & SEROTONIN CONCN WERE 112.8, 186.4, & 652.8 NG/G 4 HR LATER. FUSARIC ACID ADMIN DECREASED BRAIN NORADRENALINE LEVEL ACCOMPANIED BY AN ENHANCED ALCOHOL WITHDRAWAL SYNDROME.
건강 영향	Fusaric acid can contribute to mycotic keratitis infections. It also has developmental and neurological effects. (A3021, A3023)
노출 경로	Oral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)
독성 요약	Fusaric acid affects neurotransmitter levels by acting as a partial inhibitor on tyrosine-hydroxylase and an inhibitor on dopamine-beta-hydroxylase. This has been shown to cause elevated serotonin, 5-hydroxyindoleacetic acid, tyrosine, and dopamine levels in the brain, as well as decreased norepinephrine levels. These changes in neurotransmitter levels may be responsible for effects such as hypotension, altered behavior and locomotive activity, neurological disorders, and developmental problems. (A3020, A3021, A3022, A3023)
Signs and Symptoms	Fusaric acid can cause vomiting, hypotension, and alterations in behavioral and locomotive activity. (A3020, A3022, A3023)
Natural Pollution Sources	THE TOXIN ISOLATED FROM THE CULTURE MEDIA OF FUSARIUM OXYSPORUM F VASINFECTUM WAS IDENTIFIED AS FUSARIC ACID.
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).
Non-Human Toxicity Excerpts	DOPAMINE BETA-HYDROXYLASE INHIBITOR & HYPOTENSIVE ACTIVITY...IN THE MOUSE & RAT, A MAX DAILY DOSE OF 125 MG/KG ORALLY CAUSED NO DEFECTS BUT DELAY IN OSSIFICATION & GROWTH OF THE MOUSE FETUSES WAS FOUND. AT THE SAME DOSE, NO EFFECTS WERE FOUND IN THE RABBIT. /FUSARIC ACID-CA/FUSARIC ACID (10 MG/KG, IV) CAUSED A RAPID & DOSE-RELATED HYPOTENSION, TACHYCARDIA, TACHYPNEA, INCREASE IN BLOOD FLOW IN THE UPPER MESENTERIC ARTERY, & DECREASE IN BLOOD FLOW IN THE FEMORAL ARTERY IN DOGS. FUSARIC ACID (0.3-3 MG) HAD A DOSE-DEPENDENT NEGATIVE INOTROPIC & NODAL RHYTHM DECREASING ACTIVITY IN NODAL & PAPILLARY MUSCLE PREPARATIONS.THE EFFECTS OF FUSARIC ACID (FA), A DOPAMINE-BETA-HYDROXYLASE INHIBITOR, WERE DETERMINED ON AGGRESSION, MOTOR ACTIVITY, & BRAIN MONAMINES AT DOSES OF 3.2-60 MG/KG FOLLOWING ADMIN OF DIETARY SUPPLEMENTS OF L-TYROSINE OR BALANCED PROTEIN TO MALE ALBINO MICE. COMPARED TO SALINE-INJECTED CONTROL ANIMALS, BOTH AGGRESSION & MOTOR ACTIVITY WERE REDUCED BY THE HIGHEST DOSES OF FUSARIC ACID. TREATMENT WITH FA AT DOSES OF 30 TO 60 MG/KG DECREASED BRAIN NOREPINEPHRINE, DOPAMINE, & BRAIN TYROSINE IN ANIMALS FED THE TYROSINE SUPPLEMENT. IN CONTRAST, FA INCREASED 5-HYDROXYTRYPTAMINE & CAUSED MARKED INCREASES IN 5-HYDROXYINDOLEACETIC ACID AT THE HIGHEST DOSES.
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	US5625000
운송 번호(UN)	2811
독성	LD50 orally in mice: 230 mg/kg (Ishii)
관세 코드	29333999
위험 문구(R)	22
위험 표시	Xn
안전 문구(S)	24/25
포장분류	III
위험 등급	6.1(b)Acute Tox. 4 Oral
F 고인화성물질	10
저장 분류	11 - Combustible Solids
유해 물질 데이터	536-69-6(Hazardous Substances Data)

용도

Fusaric acid may be used as a derivatizing reagent for the quantification of hydroxysteroids and dehydroepiandrosterone (DHEA)and sulfated DHEA in biological samples using liquid chromatography electrospray-ionization-tandem mass spectrometry (LC/ESI-MS/MS) technique.

일반 설명

Fusaric acid is a novel proton-affinitive derivatizing agent, having an ionization moiety and a hydrophobic moiety. It is commonly used for the derivatization of alcohols and phenols, by liquid chromatography coupled with electrospray ionization tandem mass spectrometry (LC/ESI-MS/MS).