| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 28 | No |
Popular Name: Crystal Violet Crystal Violet
Find On: PubMed — Wikipedia — Google
CAS Numbers: 39393-39-0 , 548-62-9 , 60662-33-1 , 95-88-5 , [548-62-9] , [65294-17-9] , [67939-65-5]
4-{bis[4-(dimethylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride
Adergon; Atmonil; Avermin; Axuris; Badil; Gentiaverm; Meroxyl; Meroxylan; Pyoktanin; Vianin; Viocid
Aizen Crystal Violet Extra Pure
Crystal Violet Extra Pure APNX
Crystal Violet Hydrate [for Biochemical Research]
Crystal Violet Nonahydrate [Ion association reagent for spectrophotometric analysis]
Crystal Violet Pure DSC Brilliant
Crystal Violet, pure, high purity biological stain
Crystal Violet, pure, indicator
Gentian violet, Hexamethyl pararosaniline chloride
gention violet alchoholic staining solution
Hexamethylpararosaniline chloride
Hidaco Brilliant Crystal Violet
p,p',p''-tris(Dimethylamino)tritylium m-[(panilinophenyl)azo]benzenesulphonate
USP); Methylrosanilinium Chloride (INN
[4-[bis[4-(Dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]dimethylammonium acetate
[4-[bis[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium
[4-[bis[4-(dimethylamino)phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.46 | 13.34 | -19.69 | 0 | 3 | 1 | 9 | 372.536 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.93e-03 g/l | DrugBank-approved |
| Mp [°C] | 215 | Acros Organics |
| MP | 215 - 217 | Enamine Building Blocks |
| MP | 215...217 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Therapy | antibacterial, anthelmintic | SMDC Iconix |
| Melting_Point | ca 215? dec. | Alfa-Aesar |
| Melting_Point | ca 215° dec. | Alfa-Aesar |
| H phrase | H410: Very toxic to aquatic life with long lasting effects | Acros Organics |
| H phrase | H410: Very toxic to aquatic life with long lasting effects; H302: Harmful if swallowed; H318: Causes serious eye damage; H350: May cause cancer | Acros Organics |
| UniProt Database Links | MDTE_ECOLI; MDTF_ECOLI; SGE1_YEAST; TQSA_ECOLI | ChEBI |
| Target | Others | Selleck Chemicals |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P273: Avoid release to th | Acros Organics |
| R phrase | R45: May cause cancer. | Acros Organics |
| R phrase | R45: May cause cancer.; R22: Harmful if swallowed.; R41: Risk of serious damage to eyes.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| S phrase | S53: Avoid exposure - obtain special instructions before use. | Acros Organics |
| S phrase | S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S60: This material and its container must be disposed of as hazardous waste. | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Hazard | T: Toxic; N: Dangerous for the environment | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCNB1-2-E | G2/mitotic-specific Cyclin B1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 100 | 0.35 | Binding ≤ 10μM |
| CCNB2-2-E | G2/mitotic-specific Cyclin B2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 100 | 0.35 | Binding ≤ 10μM |
| CCNB3-2-E | G2/mitotic-specific Cyclin B3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 100 | 0.35 | Binding ≤ 10μM |
| CCNE1-2-E | G1/S-specific Cyclin E1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 10 | 0.40 | Binding ≤ 10μM |
| CCNE2-2-E | G1/S-specific Cyclin E2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 10 | 0.40 | Binding ≤ 10μM |
| CDK1-3-E | Cyclin-dependent Kinase 1 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 100 | 0.35 | Binding ≤ 10μM |
| CDK2-2-E | Cyclin-dependent Kinase 2 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 10 | 0.40 | Binding ≤ 10μM |
| Z104295-2-O | Cyclin-dependent Kinase 4/cyclin D1 (cluster #2 Of 2), Other | Other | 590 | 0.31 | Binding ≤ 10μM |
| Z50466-1-O | Trypanosoma Cruzi (cluster #1 Of 8), Other | Other | 2100 | 0.28 | Functional ≤ 10μM |
| Z80021-4-O | A498 (Renal Carcinoma Cells) (cluster #4 Of 5), Other | Other | 57 | 0.36 | Functional ≤ 10μM |
| Z80099-3-O | COLO 205 (Colon Adenocarcinoma Cells) (cluster #3 Of 3), Other | Other | 13 | 0.39 | Functional ≤ 10μM |
| Z80125-1-O | DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other | Other | 15 | 0.39 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 14 | 0.39 | Functional ≤ 10μM |
| Z80712-4-O | T47D (Breast Carcinoma Cells) (cluster #4 Of 7), Other | Other | 16 | 0.39 | Functional ≤ 10μM |
| Z80928-3-O | HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other | Other | 34 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDK1_HUMAN | P06493 | Cyclin-dependent Kinase 1, Human | 100 | 0.35 | Binding ≤ 1μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 10 | 0.40 | Binding ≤ 1μM |
| Z104295 | Z104295 | Cyclin-dependent Kinase 4/cyclin D1 | 590 | 0.31 | Binding ≤ 1μM |
| CCNE1_HUMAN | P24864 | G1/S-specific Cyclin E1, Human | 10 | 0.40 | Binding ≤ 1μM |
| CCNE2_HUMAN | O96020 | G1/S-specific Cyclin E2, Human | 10 | 0.40 | Binding ≤ 1μM |
| CCNB1_HUMAN | P14635 | G2/mitotic-specific Cyclin B1, Human | 100 | 0.35 | Binding ≤ 1μM |
| CCNB2_HUMAN | O95067 | G2/mitotic-specific Cyclin B2, Human | 100 | 0.35 | Binding ≤ 1μM |
| CCNB3_HUMAN | Q8WWL7 | G2/mitotic-specific Cyclin B3, Human | 100 | 0.35 | Binding ≤ 1μM |
| CDK1_HUMAN | P06493 | Cyclin-dependent Kinase 1, Human | 100 | 0.35 | Binding ≤ 10μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 10 | 0.40 | Binding ≤ 10μM |
| Z104295 | Z104295 | Cyclin-dependent Kinase 4/cyclin D1 | 590 | 0.31 | Binding ≤ 10μM |
| CCNE1_HUMAN | P24864 | G1/S-specific Cyclin E1, Human | 10 | 0.40 | Binding ≤ 10μM |
| CCNE2_HUMAN | O96020 | G1/S-specific Cyclin E2, Human | 10 | 0.40 | Binding ≤ 10μM |
| CCNB1_HUMAN | P14635 | G2/mitotic-specific Cyclin B1, Human | 100 | 0.35 | Binding ≤ 10μM |
| CCNB2_HUMAN | O95067 | G2/mitotic-specific Cyclin B2, Human | 100 | 0.35 | Binding ≤ 10μM |
| CCNB3_HUMAN | Q8WWL7 | G2/mitotic-specific Cyclin B3, Human | 100 | 0.35 | Binding ≤ 10μM |
| Z80021 | Z80021 | A498 (Renal Carcinoma Cells) | 57 | 0.36 | Functional ≤ 10μM |
| Z80099 | Z80099 | COLO 205 (Colon Adenocarcinoma Cells) | 13 | 0.39 | Functional ≤ 10μM |
| Z80125 | Z80125 | DU-145 (Prostate Carcinoma) | 15 | 0.39 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 30 | 0.38 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 14 | 0.39 | Functional ≤ 10μM |
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 16 | 0.39 | Functional ≤ 10μM |
| Z50466 | Z50466 | Trypanosoma Cruzi | 2100 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Activation of NIMA Kinases NEK9, NEK6, NEK7 | |
| Activation of the pre-replicative complex | |
| APC/C:Cdc20 mediated degradation of Cyclin B | |
| CDK-mediated phosphorylation and removal of Cdc6 | |
| Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex | |
| Condensation of Prometaphase Chromosomes | |
| Condensation of Prophase Chromosomes | |
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin A:Cdk2-associated events at S phase entry | |
| Cyclin B2 mediated events | |
| Cyclin E associated events during G1/S transition | |
| Depolymerisation of the Nuclear Lamina | |
| DNA Damage/Telomere Stress Induced Senescence | |
| E2F mediated regulation of DNA replication | |
| E2F-enabled inhibition of pre-replication complex formation | |
| ERK1 activation | |
| Factors involved in megakaryocyte development and platelet production | |
| G0 and Early G1 | |
| G1/S-Specific Transcription | |
| G2 Phase | |
| G2/M DNA replication checkpoint | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| MASTL Facilitates Mitotic Progression | |
| Meiotic recombination | |
| Nuclear Pore Complex (NPC) Disassembly | |
| Orc1 removal from chromatin | |
| p53-Dependent G1 DNA Damage Response | |
| Phosphorylation of Emi1 | |
| Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2 | |
| Phosphorylation of proteins involved in the G2/M transition by Cyclin A:Cdc2 com | |
| Phosphorylation of the APC/C | |
| Polo-like kinase mediated events | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Recruitment of NuMA to mitotic centrosomes | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Resolution of Sister Chromatid Cohesion | |
| SCF(Skp2)-mediated degradation of p27/p21 | |
| Senescence-Associated Secretory Phenotype (SASP) |
