NPs Basic Information

Name
Sulfamerazine
Molecular Formula C11H12N4O2S
IUPAC Name*
4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILES
CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)
InChIKey
QPPBRPIAZZHUNT-UHFFFAOYSA-N
Synonyms
sulfamerazine; 127-79-7; Sulphamerazine; Sulfamerazin; Sulfamethyldiazine; Cremomerazine; Methylsulfazine; Sulfameradine; Mebacid; Mesulfa; Metilsulfadiazin; 2-Sulfa-4-methylpyrimidine; 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide; Methylpyrimal; Metilsulfazin; Sulfamerazina; Sulfamerazinum; Kelamerazine; Percoccide; Pyralcid; Septacil; Septosyl; Solumedin; Sumedine; Romezin; Veta-Merazine; Debenal-M; Pirimal-M; Pyrimal M; Methylsulfazin; Benzenesulfonamide, 4-amino-N-(4-methyl-2-pyrimidinyl)-; N-(4-Methyl-2-pyrimidyl)sulfanilamide; 2-(Sulfanilamido)-4-methylpyrimidine; 2-(4-Aminobenzenesulfonamido)-4-methylpyrimidine; 4-Amino-N-(4-methyl-2-pyrimidinyl)-benzenesulfonamide; 2643-RP; RP 2632; N1-(4-Methyl-2-pyrimidinyl)sulfanilamide; (p-Aminobenzolsulfonyl)-2-amino-4-methylpyrimidin; A-310; 4-Amino-N-(4-methyl-2-pyrimidinyl)benzenesulfonamide; NSC 27259; RP2632; Sulfanilamide, N1-(4-methyl-2-pyrimidinyl)-; Solumedine; Sulfamerazine (INN); CHEBI:102130; 2-Sulfanilamido-4-methylpyrimidine; 2632 R. P.; N(1)-(4-Methyl-2-pyrimidinyl)sulfanilamide; 4-amino-N-(4-methylpyrimidin-2-yl)benzene-1-sulfonamide; 2-(p-Aminobenzolsulfonamido)-4-methylpyrimidine; NSC-27259; UR1SAB295F; MLS000551747; Solfamerazina; Sulfanilamide, N(sup 1)-(4-methyl-2-pyrimidinyl)-; NCGC00016386-01; CAS-127-79-7; SMR000145672; Solfamerazina [DCIT]; Sulfamerazine 100 microg/mL in Acetonitrile; DSSTox_CID_3612; SULFAMERAZINE [INN]; DSSTox_RID_77109; DSSTox_GSID_23612; Sulfamerazinum [INN-Latin]; Sulfamerazina [INN-Spanish]; 4-Amino-N-(4-methyl-pyrimidin-2-yl)-benzenesulfonamide; 4-amino-N-(4-methylpyrimidin-2-yl); SR-01000684857; EINECS 204-866-2; N(sup 1)-(4-Methyl-2-pyrimidinyl)sulfanilamide; UNII-UR1SAB295F; BRN 0249133; AI3-08026; Sulfamerazine [USP:INN:BAN]; (p-Aminobenzolsulfonyl)-2-amino-4-methylpyrimidin [German]; Prestwick_17; MFCD00023212; Sulfamerazine-13C6; Spectrum_000003; N1-(4-Methylpyrimidin-2-yl)sulfanilamide; Opera_ID_988; Prestwick0_000694; Prestwick1_000694; Prestwick2_000694; Prestwick3_000694; Spectrum2_001320; Spectrum3_001363; Spectrum4_000343; Spectrum5_001413; 2(p-Aminobenzolsulfonamido)-4-methylpyrimidin; SULFAMERAZINE [MI]; CHEMBL438; Epitope ID:122236; N(sup1)-(4-Methyl-2-pyrimidinyl)sulfanilamide; SCHEMBL33999; BSPBio_000847; BSPBio_002886; KBioGR_000745; KBioSS_000343; SULFAMERAZINE [VANDF]; 5-25-10-00167 (Beilstein Handbook Reference); MLS001201765; DivK1c_000563; SPECTRUM1500547; SULFAMERAZINE [MART.]; SPBio_001419; SPBio_002768; SULFAMERAZINE [USP-RS]; SULFAMERAZINE [WHO-DD]; BPBio1_000933; DTXSID0023612; HMS501M05; KBio1_000563; KBio2_000343; KBio2_002911; KBio2_005479; KBio3_002106; ZINC57501; NINDS_000563; HMS1570K09; HMS1921A15; HMS2092I17; HMS2097K09; HMS2234D16; HMS3374K04; HMS3652I03; HMS3714K09; Pharmakon1600-01500547; SULFAMERAZINE [GREEN BOOK]; SULFAMERAZINE [ORANGE BOOK]; ALBB-025702; AMY23374; HY-B0512; NSC27259; SULFAMERAZINE [EP MONOGRAPH]; Tox21_110411; BBL003544; CCG-39258; NSC757325; s3132; STK520614; SULFOSE COMPONENT SULFAMERAZINE; AKOS005143010; TERFONYL COMPONENT SULFAMERAZINE; Tox21_110411_1; DB01581; KS-5323; NSC-757325; IDI1_000563; LANTRISUL COMPONENT SULFAMERAZINE; SULFALOID COMPONENT SULFAMERAZINE; NCGC00016386-02; NCGC00016386-03; NCGC00016386-06; NCGC00094787-01; NCGC00094787-02; NEOTRIZINE COMPONENT SULFAMERAZINE; SULFAMERAZINE COMPONENT OF SULFOSE; N'-(4-Methyl-2-pyrimidyl) sulfanilamide; SULFAMERAZINE (TRISULFAPYRIMIDINES); SULFAMERAZINE COMPONENT OF TERFONYL; TRISULFAPYRIMIDINES (SULFAMERAZINE); SBI-0051521.P003; SULFAMERAZINE COMPONENT OF LANTRISUL; SULFAMERAZINE COMPONENT OF SULFALOID; DB-041873; SULFAMERAZINE COMPONENT OF NEOTRIZINE; Sulfamerazine, ReagentPlus(R), >=99.0%; AB00052096; FT-0631745; FT-0645132; SW196334-3; TRIPLE SULFOID COMPONENT SULFAMERAZINE; SULFADIMIDINE IMPURITY A [EP IMPURITY]; Sulfamerazine 1000 microg/mL in Acetonitrile; Sulfamerazine, Vetec(TM) reagent grade, 98%; 2-(p-Aminobenzosulfonamido)-4-methylpyrimidine; D02435; D84140; EN300-202655; AB00052096-13; AB00052096_15; AB00052096_16; SULFAMERAZINE COMPONENT OF TRIPLE SULFOID; A805747; Q415196; Sulfamerazine, VETRANAL(TM), analytical standard; Q-201761; SR-01000684857-2; SR-01000684857-4; BRD-K93524252-001-05-6; BRD-K93524252-001-15-5; F2190-0484; N(SUP 1)-(4-METHYL-2- PYRIMIDINYL)SULFANILAMIDE; TRISULFAPYRIMIDINES (SULFAMERAZINE) [ORANGE BOOK]; Z1954804578; Sulfamerazine, European Pharmacopoeia (EP) Reference Standard; Sulfamerazine, United States Pharmacopeia (USP) Reference Standard; Sulfamerazine, Pharmaceutical Secondary Standard; Certified Reference Material
CAS 127-79-7
PubChem CID 5325
ChEMBL ID CHEMBL438
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Benzenoids
      • Class: Benzene and substituted d
        • Subclass: Benzenesulfonamides
          • Direct Parent: Aminobenzenesulfonamides

ClassyFire Version 1.0
PMID:27867422

NPs Species Source

Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference
Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference

NPs Content

*Note: The vaules in Content Percentage are calculated by dividing the content value by the maximum content value in NP Content.
**Note: The units with different NP content, due to their incomparable values, are separated into different tables.

NPs Biological Activity

Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name
Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name

NPs Physi-Chem Properties

Molecular Weight: 264.31 ALogp: 0.1
HBD: 2 HBA: 6
Rotatable Bonds: 3 Lipinski's rule of five: Accepted
Polar Surface Area: 106.0 Aromatic Rings: 2
Heavy Atoms: 18 QED Weighted: 0.821

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -5.238 MDCK Permeability: 0.00002030
Pgp-inhibitor: 0 Pgp-substrate: 0.003
Human Intestinal Absorption (HIA): 0.005 20% Bioavailability (F20%): 0.001
30% Bioavailability (F30%): 0.001

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.042 Plasma Protein Binding (PPB): 72.10%
Volume Distribution (VD): 0.501 Fu: 38.93%

ADMET: Metabolism

CYP1A2-inhibitor: 0.034 CYP1A2-substrate: 0.499
CYP2C19-inhibitor: 0.057 CYP2C19-substrate: 0.065
CYP2C9-inhibitor: 0.037 CYP2C9-substrate: 0.156
CYP2D6-inhibitor: 0.069 CYP2D6-substrate: 0.082
CYP3A4-inhibitor: 0.119 CYP3A4-substrate: 0.565

ADMET: Excretion

Clearance (CL): 2.537 Half-life (T1/2): 0.226

ADMET: Toxicity

hERG Blockers: 0.04 Human Hepatotoxicity (H-HT): 0.944
Drug-inuced Liver Injury (DILI): 0.985 AMES Toxicity: 0.05
Rat Oral Acute Toxicity: 0.207 Maximum Recommended Daily Dose: 0.073
Skin Sensitization: 0.134 Carcinogencity: 0.899
Eye Corrosion: 0.004 Eye Irritation: 0.183
Respiratory Toxicity: 0.393
*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

Similar NPs Similar Drugs
NPs ID NPs 2D Structure Similarity Score TTD ID Drug 2D Structure Similarity Score
ENC000113 0.672 D0H1GJ 1.000
ENC000109 0.661 D0V9YR 0.672
ENC000114 0.561 D05LKP 0.661
ENC000111 0.475 D07SYJ 0.609
ENC000115 0.436 D0D4CY 0.581
ENC001224 0.394 D07JJS 0.565
ENC001517 0.342 D0R9OH 0.565
ENC002253 0.247 D0T1GT 0.544
ENC005053 0.247 D09TBD 0.523
ENC000798 0.246 D07PAO 0.500
*Note: the compound similarity was calculated by RDKIT.