Ammonium pyrrolidinedithiocarbamate

HCID 517348CAS 5108-96-3

기본 정보

표준 SMILES
S=C([S-])N1CCCC1.[NH4+]
InChIKey
MDDIUTVUBYEEEM-UHFFFAOYSA-N
분자식
C5H12N2S2
평균 분자량
164.3 g/mol

개요

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이름 및 식별자

우선 이름
Ammonium pyrrolidinedithiocarbamate
IUPAC
azanium pyrrolidine-1-carbodithioate
영어명
Ammonium 1-pyrrolidinedithiocarbamate
분자식
C5H9NS2.H3N
분자량
164.3

이름 및 동의어

5108-96-3Ammonium pyrrolidinedithiocarbamateAmmonium 1-PyrrolidinedithiocarbamatePyrrolidinedithiocarbamate ammoniumapdc1-Pyrrolidinecarbodithioic acid ammonium salt1-Pyrrolidinecarbodithioicacid, ammonium salt (1:1)1-Pyrrolidinecarbodithioic acid, ammonuim saltHMS3266N09HMS3675D15AC2534AKOS000121506
이름 더 보기
APDTCPYRROLIDINEDITHIOCARBAMATEAPCDAMMONIUM 1-PYRROLIDINECARBODITHIOATEammonium pyrrolidine-1-carbodithioatePDTC, NH4APDC, PDTC
CCG-222337NCGC00261718-01P 8765SCHEMBL463334azanium;pyrrolidine-1-carbodithioatePyrrolidine-N-dithiocarbamic acid ammonium saltazanium pyrrolidine-1-carbodithioateBCP24770

데이터베이스 식별자

CAS
5108-96-3
PubChem CID
517348

물성

구조 계산 물성

극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
9

실험 및 물리화학적 성질

Solubility16.6 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점
153 · 153-155 °C(lit.)
밀도
1.117 · 1.117 (estimate)
굴절률
1.53 · 1.5300 (estimate)
저장 조건
2 °C · Store at +2°C to +8°C.
용해도
190 g/L · 190g/L
물리적 상태
분말/고체

화학적 성질

pale yellow crystalline solid

안전 및 규제

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29339990
risk_code
36/37/38-22
hazard_code
Xi,Xn
safety_code
26-36-37/39

화학 및 산업

응용 분야 · 3건

개요Pyrrolidinedithiocarbamic acid (PDTC) is a metal chelating compound that potently and reversibly inhibits NF-κB activation in vitro (100 μM). At 300 μM, it prevents TNF-α gene expression and protein production in human monocytes after LPS application. In vascular smooth muscle cells, PDTC (10 μM) arrests the cell cycle at the G1 phase with upregulation of p21Cip1 through the p38 MAPK pathway. PDTC (100 μM) also has antioxidant properties.

용도1-Pyrrolidinecarbodithioic Acid induces apoptosis in rat smooth muscle cells and inhibits apoptosis in leukemia HL-60 cells. It also prevents induction of nitric oxide synthetase by inhibiting translation of NOS mRNA;

일반 설명Ammonium pyrrolidinedithiocarbamate is a nuclear factor κB (NF-κB) inhibitor. It functions as a chelating agent, which allows the preconcentration of trace metals from solution. Pyrrolidinedithiocarbamate (PDTC) has antioxidant properties. It inhibits apoptosis in lymphocytes, neurons and vascular endothelial cells.

공급사50 곳

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관련 반응

3건

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