기본 정보
- CAS
99009-20-8- 표준 SMILES
COc1ccc2c(c1)-c1nn(CCCN(C)C)c3ccc([N+](=O)[O-])c(c13)N2- InChIKey
HZCWPKGYTCJSEB-UHFFFAOYSA-N- 분자식
- C19H21N5O3
- 평균 분자량
- 367.4 g/mol
- 단동위원소 질량
- 367.16443955
개요
Pyrazoloacridine has been used in trials studying the treatment of Lung Cancer, Liver Cancer, Breast Cancer, Melanoma (Skin), and Metastatic Cancer, among others.
이름 및 식별자
- 우선 이름
- Pyrazoloacridine
- IUPAC
- 3-(4-methoxy-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)-N,N-dimethylpropan-1-amine
- 영어명
- NSC 366140
- 분자식
- C19H21N5O3
- 분자량
- 367.4
이름 및 동의어
Pyrazoloacridine99009-20-8PD-115934PD 115934NSC-366140L24XJN68OWNSC-627168DTXSID301316714RefChem:177465DTXCID901440628(3-(4-methoxy-10-nitro-8,14,15-triazatetracyclo(7.6.1.0^(2,7).0^(13,16))hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)propyl)dimethylamineN,N-Dimethyl-9-methoxy-5-nitropyrazolo(3,4,5-kl)acridine-2(6H)-propanamine
이름 더 보기
PD 115NSC 366140Pd 115,934Brn 4211902Pyrazoloacridine, 10 mM in DMSOPyrazolo(3,4,5-kl)acridine-2(6H)-propanamine, N,N-dimethyl-9-methoxy-5-nitro-
3-(9-Methoxy-5-nitropyrazolo[3,4,5-kl]acridin-2(6H)-yl)-N,N-dimethylpropan-1-amineNSC627168Pyrazolo-acridine (free base)3-(4-methoxy-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)-N,N-dimethylpropan-1-amineNSC 366140; NSC 627168; PD 115934; PZApyrazolo(3,4,5-kL)acridine-2(6H)-propanamine, 9-methoxy-N,N-dimethyl-5-nitro-Pyrazolo[3,4,5-kl]acridine-2(6H)-propanamine, 9-methoxy-N,N-dimethyl-5-nitro-UNII-L24XJN68OW
데이터베이스 식별자
- CAS
99009-20-8- PubChem CID
- 339455
- DTXSID
DTXSID301316714- ChEMBL
CHEMBL118841- UNII
- L24XJN68OW
- Nikkaji
- J343.807D
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 88.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 542
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Solubility
Water > 10.12 (mg/mL)
Buffer, pH 4 > 9.99 (mg/mL)
Buffer, pH 9 < 0.67 (mg/mL)
Ethanol > 0.66 (mg/mL)
Dimethylacetamide 5.05 - 10.10 (mg/mL)
DMSO > 10.18 (mg/mL)
Stability/Shelf LifeBulk: Test samples stored for 3 months at 25 °C and 50 °C under light and dark conditions showed no degradation (HPLC).
Solution: Aqueous solutions 2 mg/mL) showed no degradation after 48 hr at 25 °C.
물리화학적 성질
- 끓는 점
- 584.3 · 584.3±50.0 °C(Predicted)
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 산도 계수 (pKa)
- 9.35 · 9.35±0.28(Predicted)
- 물리적 상태
- Solid
- 색상
- Light brown to orange
화학 및 산업
약리 정보
Metabolism/MetabolitesPyrazoloacridine has known human metabolites that include N-DEMETHYL Pyrazoloacridine.
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Agents that are capable of inserting themselves between the successive bases in DNA, thus kinking, uncoiling or otherwise deforming it and therefore preventing its proper functioning. They are used in the study of DNA.
상·하류 제품 정보
상류 원료
공급사10 곳
LGM Pharma1-(800)-881-8210 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
兰州安杰利生物化学科技有限公司0931-8235634 13321316780 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
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