기본 정보
- 표준 SMILES
O=C(O)c1cc(C(=O)O)c2c(n1)C(=O)C(=O)c1cc(C(=O)O)[nH]c1-2- InChIKey
MMXZSJMASHPLLR-UHFFFAOYSA-N- 분자식
- C14H6N2O8
- 평균 분자량
- 330.21 g/mol
- 단동위원소 질량
- 330.01241515
개요
Pyrroloquinoline quinone is a pyrroloquinoline having oxo groups at the 4- and 5-positions and carboxy groups at the 2-, 7- and 9-positions. It has a role as an antioxidant, a cofactor, a water-soluble vitamin (role) and an anti-inflammatory agent. It is a member of orthoquinones, a pyrroloquinoline cofactor and a tricarboxylic acid. It is a conjugate acid of a pyrroloquinoline quinone(3-).
이름 및 식별자
- 우선 이름
- Pyrroloquinoline Quinone
- IUPAC
- 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
- 현지명
- 피롤로퀴놀린퀴논
- 영어명
- Pyrroloquinoline quinone
- 분자식
- C14H6N2O8
- 분자량
- 330.21
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
72909-34-3- PubChem CID
- 1024
- DTXSID
DTXSID3041162- ChEMBL
CHEMBL1235421- ChEBI
CHEBI:18315- UNII
- 47819QGH5L
- EC Number
- 839-691-6
- Nikkaji
- J126.218A
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 175 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 647
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 222 · 222 - 224°C
- 끓는 점
- 1018.6 · 1018.6±65.0 °C(Predicted)
- 밀도
- 1.963 · 1.963±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 1.88 · 1.88±0.20(Predicted)
- 물리적 상태
- 고체
- 색상
- 주황색에서 빨간색으로
- 생물학적 소스
- synthetic
- BRN
- 3596812 · 3596812
- 안정성
- 빛과 온도에 민감함
- 화장품 원료 기능
- 피부 컨디셔닝보습제피부 보호항산화제
- InChI
- InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)
- InChIKey
- MMXZSJMASHPLLR-UHFFFAOYSA-N
- SMILES
- N1C2=C(C3NC(C(O)=O)=CC=3C(=O)C2=O)C(C(O)=O)=CC=1C(O)=O
화학적 성질
Orange-Red Solid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 데이터
- wgk
- 3
- HS 번호
- 29339900
- safety_code
- 22-24/25
- F 고인화성물질
- 8
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
응용 분야
개요Pyrroloquinoline quinone (PQQ) is a novel biofactor for which a proposition can be made for physiological importance. PQQ was first recognized as an enzyme cofactor in bacteria. It has recently been tentatively identified as a component of interstellar dust. Thus, PQQ may have been present throughout early biological conception and evolution. PQQ is also a potent plant growth factor. Consequently, for animals and humans, there has been constant exposure to PQQ. In animals, PQQ is reported to participate in a range of biological functions with apparent survival benefits (e.g., improved neonatal growth and reproductive performance). There are also benefits from PQQ supplementation related to cognitive, immune, and antioxidant functions, as well as protection from cardiac and neurological ischemic events. Although PQQ is not currently viewed as a vitamin, its involvement in cell signaling pathways, particularly those important to mitochondriogenesis in experimental animal models, may eventually provide a rationale for defining PQQ as vital to life. For humans, such evidence suggests there may be similar parallels or benefits from improving PQQ status.
용도Pyrroloquinoline quinone is an important growth factor for the body and a redox/cofactor found in a a class of enzymes called quinoproteins. It is a cofactor of microbial quinoprotein enzyme, and imidazopyrroline. it regulates the level of free radicals in the body, protects the body; anti-oxidative damage; enhances mitochondrial function; detoxification; disease, etc.
일반 설명PQQ is pyrroloquinoline quinone. It is sometimes called methoxatin, pyrroloquinoline quinone disodium salt, and a longevity vitamin. It is a compound made by bacteria and is found in fruits and vegetables.PQQ in bacteria helps them digest alcohol and sugar, which makes energy. This energy helps them survive and grow. Animals and plants don’t use PQQ the same way that bacteria do, but it is a growth factor that helps plants and animals grow. It also seems to help them tolerate stress.
상·하류 제품 정보
상류 원료
공급사50 곳
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